1 83232834340 1 3 1000.0000 7 0 0 s 2 p 3 p 0 f 0 h 0 k 0 s 0 d 0 p i s2p3 e= -75057.44884 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 4p e= -74998.24804 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 5p e= -74988.60812 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 6p e= -74984.93464 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 7p e= -74983.11096 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 8p e= -74982.07052 s 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 p i s2p2 9p e= -74981.42007 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 4f e= -74986.39914 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 5f e= -74983.90554 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 6f e= -74982.54636 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 7f e= -74981.72686 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 8f e= -74981.19543 s 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 p i s2p2 9f e= -74980.83115 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 p i s2p2 6h e= -74982.51413 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 p i s2p2 7h e= -74981.70552 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 p i s2p2 8h e= -74981.18047 s 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 p i s2p2 9h e= -74980.82058 s 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 p i s2p2 8k e= -74981.18040 s 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 p i s2p2 9k e= -74980.82048 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 4s e= -74932.07634 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 5s e= -74915.54970 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 6s e= -74910.24118 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 7s e= -74907.80967 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 8s e= -74906.49067 s 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 p i sp3 9s e= -74905.69456 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 3d e= -74918.49555 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 4d e= -74911.54926 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 5d e= -74908.46197 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 6d e= -74906.86731 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 7d e= -74905.93323 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 8d e= -74905.33800 s 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 p i sp3 9d e= -74904.93572 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 4s e= -75008.13851 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 5s e= -74991.58634 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 6s e= -74986.24859 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 7s e= -74983.80631 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 8s e= -74982.48266 s 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 p i s2p2 9s e= -74981.68421 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 3d e= -74993.94857 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 4d e= -74987.30322 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 5d e= -74984.33126 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 6d e= -74982.78453 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 7d e= -74981.87555 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 8d e= -74981.29482 s 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 p i s2p2 9d e= -74980.90124 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 5g e= -74983.85867 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 6g e= -74982.51717 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 7g e= -74981.70794 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 8g e= -74981.18234 s 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 p i s2p2 9g e= -74980.82187 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 p i s2p2 7i e= -74981.70533 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 p i s2p2 8i e= -74981.18043 s 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 p i s2p2 9i e= -74980.82058 s 1 p 4 s 0 d 0 g 0 i 0 p 0 f 0 p i sp4 e= -74980.56335 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 4p e= -74922.64479 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 5p e= -74912.74008 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 6p e= -74909.00130 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 7p e= -74907.15308 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 8p e= -74906.10131 s 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 p i sp3 9p e= -74905.44483 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 4f e= -74910.41569 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 5f e= -74907.92171 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 6f e= -74906.56182 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 7f e= -74905.74187 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 8f e= -74905.21008 s 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 p i sp3 9f e= -74904.84566 i s2p3 p i s2p3 -7.56740( 3p//r2// 3p) i s2p3 p i s2p2 4p 5.25498( 3p//r2// 4p) i s2p3 p i s2p2 5p 2.30854( 3p//r2// 5p) i s2p3 p i s2p2 6p 1.41156( 3p//r2// 6p) i s2p3 p i s2p2 7p 0.98659( 3p//r2// 7p) i s2p3 p i s2p2 8p 0.74254( 3p//r2// 8p) i s2p3 p i s2p2 9p 0.58609( 3p//r2// 9p) i s2p3 p i s2p2 4f -2.02280( 3p//r2// 4f) i s2p3 p i s2p2 5f -1.67584( 3p//r2// 5f) i s2p3 p i s2p2 6f -1.34996( 3p//r2// 6f) i s2p3 p i s2p2 7f -1.10432( 3p//r2// 7f) i s2p3 p i s2p2 8f -0.92111( 3p//r2// 8f) i s2p3 p i s2p2 9f -0.78201( 3p//r2// 9f) i s2p3 p i s2p2 6h 0.00000( //r2// ) i s2p3 p i s2p2 7h 0.00000( //r2// ) i s2p3 p i s2p2 8h 0.00000( //r2// ) i s2p3 p i s2p2 9h 0.00000( //r2// ) i s2p3 p i s2p2 8k 0.00000( //r2// ) i s2p3 p i s2p2 9k 0.00000( //r2// ) i s2p3 p i sp3 4s 0.00000( //r2// ) i s2p3 p i sp3 5s 0.00000( //r2// ) i s2p3 p i sp3 6s 0.00000( //r2// ) i s2p3 p i sp3 7s 0.00000( //r2// ) i s2p3 p i sp3 8s 0.00000( //r2// ) i s2p3 p i sp3 9s 0.00000( //r2// ) i s2p3 p i sp3 3d 2.93576( 3s//r2// 3d) i s2p3 p i sp3 4d 2.03554( 3s//r2// 4d) i s2p3 p i sp3 5d 1.31891( 3s//r2// 5d) i s2p3 p i sp3 6d 0.91551( 3s//r2// 6d) i s2p3 p i sp3 7d 0.67880( 3s//r2// 7d) i s2p3 p i sp3 8d 0.52844( 3s//r2// 8d) i s2p3 p i sp3 9d 0.42639( 3s//r2// 9d) i s2p2 4p p i s2p3 5.25498( 4p//r2// 3p) i s2p2 4p p i s2p2 4p -95.23013( 4p//r2// 4p) i s2p2 4p p i s2p2 5p 64.55241( 4p//r2// 5p) i s2p2 4p p i s2p2 6p 19.84098( 4p//r2// 6p) i s2p2 4p p i s2p2 7p 10.61748( 4p//r2// 7p) i s2p2 4p p i s2p2 8p 6.97308( 4p//r2// 8p) i s2p2 4p p i s2p2 9p 5.08141( 4p//r2// 9p) i s2p2 4p p i s2p2 4f 128.77545( 4p//r2// 4f) i s2p2 4p p i s2p2 5f 48.70114( 4p//r2// 5f) i s2p2 4p p i s2p2 6f 26.69316( 4p//r2// 6f) i s2p2 4p p i s2p2 7f 17.45111( 4p//r2// 7f) i s2p2 4p p i s2p2 8f 12.60307( 4p//r2// 8f) i s2p2 4p p i s2p2 9f 9.69146( 4p//r2// 9f) i s2p2 4p p i s2p2 6h 0.00000( //r2// ) i s2p2 4p p i s2p2 7h 0.00000( //r2// ) i s2p2 4p p i s2p2 8h 0.00000( //r2// ) i s2p2 4p p i s2p2 9h 0.00000( //r2// ) i s2p2 4p p i s2p2 8k 0.00000( //r2// ) i s2p2 4p p i s2p2 9k 0.00000( //r2// ) i s2p2 4p p i sp3 4s 0.00000( //r2// ) i s2p2 4p p i sp3 5s 0.00000( //r2// ) i s2p2 4p p i sp3 6s 0.00000( //r2// ) i s2p2 4p p i sp3 7s 0.00000( //r2// ) i s2p2 4p p i sp3 8s 0.00000( //r2// ) i s2p2 4p p i sp3 9s 0.00000( //r2// ) i s2p2 4p p i sp3 3d 0.00000( //r2// ) i s2p2 4p p i sp3 4d 0.00000( //r2// ) i s2p2 4p p i sp3 5d 0.00000( //r2// ) i s2p2 4p p i sp3 6d 0.00000( //r2// ) i s2p2 4p p i sp3 7d 0.00000( //r2// ) i s2p2 4p p i sp3 8d 0.00000( //r2// ) i s2p2 4p p i sp3 9d 0.00000( //r2// ) i s2p2 5p p i s2p3 2.30854( 5p//r2// 3p) i s2p2 5p p i s2p2 4p 64.55241( 5p//r2// 4p) i s2p2 5p p i s2p2 5p -395.07160( 5p//r2// 5p) i s2p2 5p p i s2p2 6p 229.14392( 5p//r2// 6p) i s2p2 5p p i s2p2 7p 64.64180( 5p//r2// 7p) i s2p2 5p p i s2p2 8p 33.01371( 5p//r2// 8p) i s2p2 5p p i s2p2 9p 21.10029( 5p//r2// 9p) i s2p2 5p p i s2p2 4f -464.54974( 5p//r2// 4f) i s2p2 5p p i s2p2 5f 283.40938( 5p//r2// 5f) i s2p2 5p p i s2p2 6f 127.07868( 5p//r2// 6f) i s2p2 5p p i s2p2 7f 74.44167( 5p//r2// 7f) i s2p2 5p p i s2p2 8f 50.42439( 5p//r2// 8f) i s2p2 5p p i s2p2 9f 37.23702( 5p//r2// 9f) i s2p2 5p p i s2p2 6h 0.00000( //r2// ) i s2p2 5p p i s2p2 7h 0.00000( //r2// ) i s2p2 5p p i s2p2 8h 0.00000( //r2// ) i s2p2 5p p i s2p2 9h 0.00000( //r2// ) i s2p2 5p p i s2p2 8k 0.00000( //r2// ) i s2p2 5p p i s2p2 9k 0.00000( //r2// ) i s2p2 5p p i sp3 4s 0.00000( //r2// ) i s2p2 5p p i sp3 5s 0.00000( //r2// ) i s2p2 5p p i sp3 6s 0.00000( //r2// ) i s2p2 5p p i sp3 7s 0.00000( //r2// ) i s2p2 5p p i sp3 8s 0.00000( //r2// ) i s2p2 5p p i sp3 9s 0.00000( //r2// ) i s2p2 5p p i sp3 3d 0.00000( //r2// ) i s2p2 5p p i sp3 4d 0.00000( //r2// ) i s2p2 5p p i sp3 5d 0.00000( //r2// ) i s2p2 5p p i sp3 6d 0.00000( //r2// ) i s2p2 5p p i sp3 7d 0.00000( //r2// ) i s2p2 5p p i sp3 8d 0.00000( //r2// ) i s2p2 5p p i sp3 9d 0.00000( //r2// ) i s2p2 6p p i s2p3 1.41156( 6p//r2// 3p) i s2p2 6p p i s2p2 4p 19.84098( 6p//r2// 4p) i s2p2 6p p i s2p2 5p 229.14392( 6p//r2// 5p) i s2p2 6p p i s2p2 6p -1104.74699( 6p//r2// 6p) i s2p2 6p p i s2p2 7p 581.34825( 6p//r2// 7p) i s2p2 6p p i s2p2 8p 155.65750( 6p//r2// 8p) i s2p2 6p p i s2p2 9p 76.94371( 6p//r2// 9p) i s2p2 6p p i s2p2 4f 329.51103( 6p//r2// 4f) i s2p2 6p p i s2p2 5f -1401.64543( 6p//r2// 5f) i s2p2 6p p i s2p2 6f 517.96357( 6p//r2// 6f) i s2p2 6p p i s2p2 7f 246.43896( 6p//r2// 7f) i s2p2 6p p i s2p2 8f 147.92661( 6p//r2// 8f) i s2p2 6p p i s2p2 9f 101.50690( 6p//r2// 9f) i s2p2 6p p i s2p2 6h 0.00000( //r2// ) i s2p2 6p p i s2p2 7h 0.00000( //r2// ) i s2p2 6p p i s2p2 8h 0.00000( //r2// ) i s2p2 6p p i s2p2 9h 0.00000( //r2// ) i s2p2 6p p i s2p2 8k 0.00000( //r2// ) i s2p2 6p p i s2p2 9k 0.00000( //r2// ) i s2p2 6p p i sp3 4s 0.00000( //r2// ) i s2p2 6p p i sp3 5s 0.00000( //r2// ) i s2p2 6p p i sp3 6s 0.00000( //r2// ) i s2p2 6p p i sp3 7s 0.00000( //r2// ) i s2p2 6p p i sp3 8s 0.00000( //r2// ) i s2p2 6p p i sp3 9s 0.00000( //r2// ) i s2p2 6p p i sp3 3d 0.00000( //r2// ) i s2p2 6p p i sp3 4d 0.00000( //r2// ) i s2p2 6p p i sp3 5d 0.00000( //r2// ) i s2p2 6p p i sp3 6d 0.00000( //r2// ) i s2p2 6p p i sp3 7d 0.00000( //r2// ) i s2p2 6p p i sp3 8d 0.00000( //r2// ) i s2p2 6p p i sp3 9d 0.00000( //r2// ) i s2p2 7p p i s2p3 0.98659( 7p//r2// 3p) i s2p2 7p p i s2p2 4p 10.61748( 7p//r2// 4p) i s2p2 7p p i s2p2 5p 64.64180( 7p//r2// 5p) i s2p2 7p p i s2p2 6p 581.34825( 7p//r2// 6p) i s2p2 7p p i s2p2 7p -2487.86409( 7p//r2// 7p) i s2p2 7p p i s2p2 8p 1225.74051( 7p//r2// 8p) i s2p2 7p p i s2p2 9p 316.15793( 7p//r2// 9p) i s2p2 7p p i s2p2 4f 29.20973( 7p//r2// 4f) i s2p2 7p p i s2p2 5f 1053.30180( 7p//r2// 5f) i s2p2 7p p i s2p2 6f -3169.62180( 7p//r2// 6f) i s2p2 7p p i s2p2 7f 854.19885( 7p//r2// 7f) i s2p2 7p p i s2p2 8f 417.55799( 7p//r2// 8f) i s2p2 7p p i s2p2 9f 253.00261( 7p//r2// 9f) i s2p2 7p p i s2p2 6h 0.00000( //r2// ) i s2p2 7p p i s2p2 7h 0.00000( //r2// ) i s2p2 7p p i s2p2 8h 0.00000( //r2// ) i s2p2 7p p i s2p2 9h 0.00000( //r2// ) i s2p2 7p p i s2p2 8k 0.00000( //r2// ) i s2p2 7p p i s2p2 9k 0.00000( //r2// ) i s2p2 7p p i sp3 4s 0.00000( //r2// ) i s2p2 7p p i sp3 5s 0.00000( //r2// ) i s2p2 7p p i sp3 6s 0.00000( //r2// ) i s2p2 7p p i sp3 7s 0.00000( //r2// ) i s2p2 7p p i sp3 8s 0.00000( //r2// ) i s2p2 7p p i sp3 9s 0.00000( //r2// ) i s2p2 7p p i sp3 3d 0.00000( //r2// ) i s2p2 7p p i sp3 4d 0.00000( //r2// ) i s2p2 7p p i sp3 5d 0.00000( //r2// ) i s2p2 7p p i sp3 6d 0.00000( //r2// ) i s2p2 7p p i sp3 7d 0.00000( //r2// ) i s2p2 7p p i sp3 8d 0.00000( //r2// ) i s2p2 7p p i sp3 9d 0.00000( //r2// ) i s2p2 8p p i s2p3 0.74254( 8p//r2// 3p) i s2p2 8p p i s2p2 4p 6.97308( 8p//r2// 4p) i s2p2 8p p i s2p2 5p 33.01371( 8p//r2// 5p) i s2p2 8p p i s2p2 6p 155.65750( 8p//r2// 6p) i s2p2 8p p i s2p2 7p 1225.74051( 8p//r2// 7p) i s2p2 8p p i s2p2 8p -4873.54684( 8p//r2// 8p) i s2p2 8p p i s2p2 9p 2289.95414( 8p//r2// 9p) i s2p2 8p p i s2p2 4f 11.62980( 8p//r2// 4f) i s2p2 8p p i s2p2 5f 81.01321( 8p//r2// 5f) i s2p2 8p p i s2p2 6f 2472.22608( 8p//r2// 6f) i s2p2 8p p i s2p2 7f -6139.39235( 8p//r2// 7f) i s2p2 8p p i s2p2 8f 1315.12971( 8p//r2// 8f) i s2p2 8p p i s2p2 9f 652.20881( 8p//r2// 9f) i s2p2 8p p i s2p2 6h 0.00000( //r2// ) i s2p2 8p p i s2p2 7h 0.00000( //r2// ) i s2p2 8p p i s2p2 8h 0.00000( //r2// ) i s2p2 8p p i s2p2 9h 0.00000( //r2// ) i s2p2 8p p i s2p2 8k 0.00000( //r2// ) i s2p2 8p p i s2p2 9k 0.00000( //r2// ) i s2p2 8p p i sp3 4s 0.00000( //r2// ) i s2p2 8p p i sp3 5s 0.00000( //r2// ) i s2p2 8p p i sp3 6s 0.00000( //r2// ) i s2p2 8p p i sp3 7s 0.00000( //r2// ) i s2p2 8p p i sp3 8s 0.00000( //r2// ) i s2p2 8p p i sp3 9s 0.00000( //r2// ) i s2p2 8p p i sp3 3d 0.00000( //r2// ) i s2p2 8p p i sp3 4d 0.00000( //r2// ) i s2p2 8p p i sp3 5d 0.00000( //r2// ) i s2p2 8p p i sp3 6d 0.00000( //r2// ) i s2p2 8p p i sp3 7d 0.00000( //r2// ) i s2p2 8p p i sp3 8d 0.00000( //r2// ) i s2p2 8p p i sp3 9d 0.00000( //r2// ) i s2p2 9p p i s2p3 0.58609( 9p//r2// 3p) i s2p2 9p p i s2p2 4p 5.08141( 9p//r2// 4p) i s2p2 9p p i s2p2 5p 21.10029( 9p//r2// 5p) i s2p2 9p p i s2p2 6p 76.94371( 9p//r2// 6p) i s2p2 9p p i s2p2 7p 316.15793( 9p//r2// 7p) i s2p2 9p p i s2p2 8p 2289.95414( 9p//r2// 8p) i s2p2 9p p i s2p2 9p -8656.52446( 9p//r2// 9p) i s2p2 9p p i s2p2 4f 6.71134( 9p//r2// 4f) i s2p2 9p p i s2p2 5f 30.39219( 9p//r2// 5f) i s2p2 9p p i s2p2 6f 167.44293( 9p//r2// 6f) i s2p2 9p p i s2p2 7f 4917.63742( 9p//r2// 7f) i s2p2 9p p i s2p2 8f -10745.60818( 9p//r2// 8f) i s2p2 9p p i s2p2 9f 1925.35254( 9p//r2// 9f) i s2p2 9p p i s2p2 6h 0.00000( //r2// ) i s2p2 9p p i s2p2 7h 0.00000( //r2// ) i s2p2 9p p i s2p2 8h 0.00000( //r2// ) i s2p2 9p p i s2p2 9h 0.00000( //r2// ) i s2p2 9p p i s2p2 8k 0.00000( //r2// ) i s2p2 9p p i s2p2 9k 0.00000( //r2// ) i s2p2 9p p i sp3 4s 0.00000( //r2// ) i s2p2 9p p i sp3 5s 0.00000( //r2// ) i s2p2 9p p i sp3 6s 0.00000( //r2// ) i s2p2 9p p i sp3 7s 0.00000( //r2// ) i s2p2 9p p i sp3 8s 0.00000( //r2// ) i s2p2 9p p i sp3 9s 0.00000( //r2// ) i s2p2 9p p i sp3 3d 0.00000( //r2// ) i s2p2 9p p i sp3 4d 0.00000( //r2// ) i s2p2 9p p i sp3 5d 0.00000( //r2// ) i s2p2 9p p i sp3 6d 0.00000( //r2// ) i s2p2 9p p i sp3 7d 0.00000( //r2// ) i s2p2 9p p i sp3 8d 0.00000( //r2// ) i s2p2 9p p i sp3 9d 0.00000( //r2// ) i s2p2 4f p i s2p3 -2.02280( 4f//r2// 3p) i s2p2 4f p i s2p2 4p 128.77545( 4f//r2// 4p) i s2p2 4f p i s2p2 5p -464.54974( 4f//r2// 5p) i s2p2 4f p i s2p2 6p 329.51103( 4f//r2// 6p) i s2p2 4f p i s2p2 7p 29.20973( 4f//r2// 7p) i s2p2 4f p i s2p2 8p 11.62980( 4f//r2// 8p) i s2p2 4f p i s2p2 9p 6.71134( 4f//r2// 9p) i s2p2 4f p i s2p2 4f -490.41540( 4f//r2// 4f) i s2p2 4f p i s2p2 5f 322.96385( 4f//r2// 5f) i s2p2 4f p i s2p2 6f 76.66034( 4f//r2// 6f) i s2p2 4f p i s2p2 7f 35.61192( 4f//r2// 7f) i s2p2 4f p i s2p2 8f 21.47601( 4f//r2// 8f) i s2p2 4f p i s2p2 9f 14.81562( 4f//r2// 9f) i s2p2 4f p i s2p2 6h 608.41721( 4f//r2// 6h) i s2p2 4f p i s2p2 7h 326.94483( 4f//r2// 7h) i s2p2 4f p i s2p2 8h 209.41018( 4f//r2// 8h) i s2p2 4f p i s2p2 9h 149.36641( 4f//r2// 9h) i s2p2 4f p i s2p2 8k 0.00000( //r2// ) i s2p2 4f p i s2p2 9k 0.00000( //r2// ) i s2p2 4f p i sp3 4s 0.00000( //r2// ) i s2p2 4f p i sp3 5s 0.00000( //r2// ) i s2p2 4f p i sp3 6s 0.00000( //r2// ) i s2p2 4f p i sp3 7s 0.00000( //r2// ) i s2p2 4f p i sp3 8s 0.00000( //r2// ) i s2p2 4f p i sp3 9s 0.00000( //r2// ) i s2p2 4f p i sp3 3d 0.00000( //r2// ) i s2p2 4f p i sp3 4d 0.00000( //r2// ) i s2p2 4f p i sp3 5d 0.00000( //r2// ) i s2p2 4f p i sp3 6d 0.00000( //r2// ) i s2p2 4f p i sp3 7d 0.00000( //r2// ) i s2p2 4f p i sp3 8d 0.00000( //r2// ) i s2p2 4f p i sp3 9d 0.00000( //r2// ) i s2p2 5f p i s2p3 -1.67584( 5f//r2// 3p) i s2p2 5f p i s2p2 4p 48.70114( 5f//r2// 4p) i s2p2 5f p i s2p2 5p 283.40938( 5f//r2// 5p) i s2p2 5f p i s2p2 6p -1401.64543( 5f//r2// 6p) i s2p2 5f p i s2p2 7p 1053.30180( 5f//r2// 7p) i s2p2 5f p i s2p2 8p 81.01321( 5f//r2// 8p) i s2p2 5f p i s2p2 9p 30.39219( 5f//r2// 9p) i s2p2 5f p i s2p2 4f 322.96385( 5f//r2// 4f) i s2p2 5f p i s2p2 5f 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) i s2p2 6f p i sp3 8s 0.00000( //r2// ) i s2p2 6f p i sp3 9s 0.00000( //r2// ) i s2p2 6f p i sp3 3d 0.00000( //r2// ) i s2p2 6f p i sp3 4d 0.00000( //r2// ) i s2p2 6f p i sp3 5d 0.00000( //r2// ) i s2p2 6f p i sp3 6d 0.00000( //r2// ) i s2p2 6f p i sp3 7d 0.00000( //r2// ) i s2p2 6f p i sp3 8d 0.00000( //r2// ) i s2p2 6f p i sp3 9d 0.00000( //r2// ) i s2p2 7f p i s2p3 -1.10432( 7f//r2// 3p) i s2p2 7f p i s2p2 4p 17.45111( 7f//r2// 4p) i s2p2 7f p i s2p2 5p 74.44167( 7f//r2// 5p) i s2p2 7f p i s2p2 6p 246.43896( 7f//r2// 6p) i s2p2 7f p i s2p2 7p 854.19885( 7f//r2// 7p) i s2p2 7f p i s2p2 8p -6139.39235( 7f//r2// 8p) i s2p2 7f p i s2p2 9p 4917.63742( 7f//r2// 9p) i s2p2 7f p i s2p2 4f 35.61192( 7f//r2// 4f) i s2p2 7f p i s2p2 5f 209.85590( 7f//r2// 5f) i s2p2 7f p i s2p2 6f 1842.69867( 7f//r2// 6f) i s2p2 7f p i s2p2 7f -6998.87975( 7f//r2// 7f) i s2p2 7f p i s2p2 8f 3409.99349( 7f//r2// 8f) i s2p2 7f p i s2p2 9f 809.66366( 7f//r2// 9f) i s2p2 7f p i s2p2 6h -412.23257( 7f//r2// 6h) i s2p2 7f p i s2p2 7h 6312.23806( 7f//r2// 7h) i s2p2 7f p i s2p2 8h -8657.72714( 7f//r2// 8h) i s2p2 7f p i s2p2 9h -727.08551( 7f//r2// 9h) i s2p2 7f p i s2p2 8k 0.00000( //r2// ) i s2p2 7f p i s2p2 9k 0.00000( //r2// ) i s2p2 7f p i sp3 4s 0.00000( //r2// ) i s2p2 7f p i sp3 5s 0.00000( //r2// ) i s2p2 7f p i sp3 6s 0.00000( //r2// ) i s2p2 7f p i sp3 7s 0.00000( //r2// ) i s2p2 7f p i sp3 8s 0.00000( //r2// ) i s2p2 7f p i sp3 9s 0.00000( //r2// ) i s2p2 7f p i sp3 3d 0.00000( //r2// ) i s2p2 7f p i sp3 4d 0.00000( //r2// ) i s2p2 7f p i sp3 5d 0.00000( //r2// ) i s2p2 7f p i sp3 6d 0.00000( //r2// ) i s2p2 7f p i sp3 7d 0.00000( //r2// ) i s2p2 7f p i sp3 8d 0.00000( //r2// ) i s2p2 7f p i sp3 9d 0.00000( //r2// ) i s2p2 8f p i s2p3 -0.92111( 8f//r2// 3p) i s2p2 8f p i s2p2 4p 12.60307( 8f//r2// 4p) i s2p2 8f p i s2p2 5p 50.42439( 8f//r2// 5p) i s2p2 8f p i s2p2 6p 147.92661( 8f//r2// 6p) i s2p2 8f p i s2p2 7p 417.55799( 8f//r2// 7p) i s2p2 8f p i s2p2 8p 1315.12971( 8f//r2// 8p) i s2p2 8f p i s2p2 9p -10745.60818( 8f//r2// 9p) i s2p2 8f p i s2p2 4f 21.47601( 8f//r2// 4f) i s2p2 8f p i s2p2 5f 97.28177( 8f//r2// 5f) i s2p2 8f p i s2p2 6f 441.56761( 8f//r2// 6f) i s2p2 8f p i s2p2 7f 3409.99349( 8f//r2// 7f) i s2p2 8f p i s2p2 8f -12406.84476( 8f//r2// 8f) i s2p2 8f p i s2p2 9f 5776.03535( 8f//r2// 9f) i s2p2 8f p i s2p2 6h -96.77379( 8f//r2// 6h) i s2p2 8f p i s2p2 7h -1197.16072( 8f//r2// 7h) i s2p2 8f p i s2p2 8h 12676.40695( 8f//r2// 8h) i s2p2 8f p i s2p2 9h -13938.92805( 8f//r2// 9h) i s2p2 8f p i s2p2 8k 0.00000( //r2// ) i s2p2 8f p i s2p2 9k 0.00000( //r2// ) i s2p2 8f p i sp3 4s 0.00000( //r2// ) i s2p2 8f p i sp3 5s 0.00000( //r2// ) i s2p2 8f p i sp3 6s 0.00000( //r2// ) i s2p2 8f p i sp3 7s 0.00000( //r2// ) i s2p2 8f p i sp3 8s 0.00000( //r2// ) i s2p2 8f p i sp3 9s 0.00000( //r2// ) i s2p2 8f p i sp3 3d 0.00000( //r2// ) i s2p2 8f p i sp3 4d 0.00000( //r2// ) i s2p2 8f p i sp3 5d 0.00000( //r2// ) i s2p2 8f p i sp3 6d 0.00000( //r2// ) i s2p2 8f p i sp3 7d 0.00000( //r2// ) i s2p2 8f p i sp3 8d 0.00000( //r2// ) i s2p2 8f p i sp3 9d 0.00000( //r2// ) i s2p2 9f p i s2p3 -0.78201( 9f//r2// 3p) i s2p2 9f p i s2p2 4p 9.69146( 9f//r2// 4p) i s2p2 9f p i s2p2 5p 37.23702( 9f//r2// 5p) i s2p2 9f p i s2p2 6p 101.50690( 9f//r2// 6p) i s2p2 9f p i s2p2 7p 253.00261( 9f//r2// 7p) i s2p2 9f p i s2p2 8p 652.20881( 9f//r2// 8p) i s2p2 9f p i s2p2 9p 1925.35254( 9f//r2// 9p) i s2p2 9f p i s2p2 4f 14.81562( 9f//r2// 4f) i s2p2 9f p i s2p2 5f 58.37141( 9f//r2// 5f) i s2p2 9f p i s2p2 6f 203.06612( 9f//r2// 6f) i s2p2 9f p i s2p2 7f 809.66366( 9f//r2// 7f) i s2p2 9f p i s2p2 8f 5776.03535( 9f//r2// 8f) i s2p2 9f p i s2p2 9f -20387.80232( 9f//r2// 9f) i s2p2 9f p i s2p2 6h -43.35118( 9f//r2// 6h) i s2p2 9f p i s2p2 7h -280.61177( 9f//r2// 7h) i s2p2 9f p i s2p2 8h -2616.93921( 9f//r2// 8h) i s2p2 9f p i s2p2 9h 22371.89826( 9f//r2// 9h) i s2p2 9f p i s2p2 8k 0.00000( //r2// ) i s2p2 9f p i s2p2 9k 0.00000( //r2// ) i s2p2 9f p i sp3 4s 0.00000( 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i s2p2 9f -43.35118( 6h//r2// 9f) i s2p2 6h p i s2p2 6h -2750.91978( 6h//r2// 6h) i s2p2 6h p i s2p2 7h 1514.60631( 6h//r2// 7h) i s2p2 6h p i s2p2 8h 301.84120( 6h//r2// 8h) i s2p2 6h p i s2p2 9h 124.81760( 6h//r2// 9h) i s2p2 6h p i s2p2 8k 3475.09689( 6h//r2// 8k) i s2p2 6h p i s2p2 9k 1655.62661( 6h//r2// 9k) i s2p2 6h p i sp3 4s 0.00000( //r2// ) i s2p2 6h p i sp3 5s 0.00000( //r2// ) i s2p2 6h p i sp3 6s 0.00000( //r2// ) i s2p2 6h p i sp3 7s 0.00000( //r2// ) i s2p2 6h p i sp3 8s 0.00000( //r2// ) i s2p2 6h p i sp3 9s 0.00000( //r2// ) i s2p2 6h p i sp3 3d 0.00000( //r2// ) i s2p2 6h p i sp3 4d 0.00000( //r2// ) i s2p2 6h p i sp3 5d 0.00000( //r2// ) i s2p2 6h p i sp3 6d 0.00000( //r2// ) i s2p2 6h p i sp3 7d 0.00000( //r2// ) i s2p2 6h p i sp3 8d 0.00000( //r2// ) i s2p2 6h p i sp3 9d 0.00000( //r2// ) i s2p2 7h p i s2p3 0.00000( //r2// ) i s2p2 7h p i s2p2 4p 0.00000( //r2// ) i s2p2 7h p i s2p2 5p 0.00000( //r2// ) i s2p2 7h p i s2p2 6p 0.00000( //r2// ) i s2p2 7h p i s2p2 7p 0.00000( //r2// ) i s2p2 7h p i s2p2 8p 0.00000( //r2// ) i s2p2 7h p i s2p2 9p 0.00000( //r2// ) i s2p2 7h p i s2p2 4f 326.94483( 7h//r2// 4f) i s2p2 7h p i s2p2 5f 365.87178( 7h//r2// 5f) i s2p2 7h p i s2p2 6f -4895.97402( 7h//r2// 6f) i s2p2 7h p i s2p2 7f 6312.23806( 7h//r2// 7f) i s2p2 7h p i s2p2 8f -1197.16072( 7h//r2// 8f) i s2p2 7h p i s2p2 9f -280.61177( 7h//r2// 9f) i s2p2 7h p i s2p2 6h 1514.60631( 7h//r2// 6h) i s2p2 7h p i s2p2 7h -6418.79421( 7h//r2// 7h) i s2p2 7h p i s2p2 8h 3362.78276( 7h//r2// 8h) i s2p2 7h p i s2p2 9h 710.41732( 7h//r2// 9h) i s2p2 7h p i s2p2 8k -8895.38004( 7h//r2// 8k) i s2p2 7h p i s2p2 9k 2707.66179( 7h//r2// 9k) i s2p2 7h p i sp3 4s 0.00000( //r2// ) i s2p2 7h p i sp3 5s 0.00000( //r2// ) i s2p2 7h p i sp3 6s 0.00000( //r2// ) i s2p2 7h p i sp3 7s 0.00000( //r2// ) i s2p2 7h p i sp3 8s 0.00000( //r2// ) i s2p2 7h p i sp3 9s 0.00000( //r2// ) i s2p2 7h p i sp3 3d 0.00000( //r2// ) i s2p2 7h p i sp3 4d 0.00000( //r2// ) i s2p2 7h p i sp3 5d 0.00000( //r2// ) i s2p2 7h p i sp3 6d 0.00000( //r2// ) i s2p2 7h p i sp3 7d 0.00000( //r2// ) i s2p2 7h p i sp3 8d 0.00000( //r2// ) i s2p2 7h p i sp3 9d 0.00000( //r2// ) i s2p2 8h p i s2p3 0.00000( //r2// ) i s2p2 8h p i s2p2 4p 0.00000( //r2// ) i s2p2 8h p i s2p2 5p 0.00000( //r2// ) i s2p2 8h p i s2p2 6p 0.00000( //r2// ) i s2p2 8h p i s2p2 7p 0.00000( //r2// ) i s2p2 8h p i s2p2 8p 0.00000( //r2// ) i s2p2 8h p i s2p2 9p 0.00000( //r2// ) i s2p2 8h p i s2p2 4f 209.41018( 8h//r2// 4f) i s2p2 8h p i s2p2 5f 338.55265( 8h//r2// 5f) i s2p2 8h p i s2p2 6f -57.14298( 8h//r2// 6f) i s2p2 8h p i s2p2 7f -8657.72714( 8h//r2// 7f) i s2p2 8h p i s2p2 8f 12676.40695( 8h//r2// 8f) i s2p2 8h p i s2p2 9f -2616.93921( 8h//r2// 9f) i s2p2 8h p i s2p2 6h 301.84120( 8h//r2// 6h) i s2p2 8h p i s2p2 7h 3362.78276( 8h//r2// 7h) i s2p2 8h p i s2p2 8h -12414.38723( 8h//r2// 8h) i s2p2 8h p i s2p2 9h 6145.63160( 8h//r2// 9h) i s2p2 8h p i s2p2 8k 7218.45226( 8h//r2// 8k) i s2p2 8h p i s2p2 9k -16956.73835( 8h//r2// 9k) i s2p2 8h p i sp3 4s 0.00000( //r2// ) i s2p2 8h p i sp3 5s 0.00000( //r2// ) i s2p2 8h p i sp3 6s 0.00000( //r2// ) i s2p2 8h p i sp3 7s 0.00000( //r2// ) i s2p2 8h p i sp3 8s 0.00000( //r2// ) i s2p2 8h p i sp3 9s 0.00000( //r2// ) i s2p2 8h p i sp3 3d 0.00000( //r2// ) i s2p2 8h p i sp3 4d 0.00000( //r2// ) i s2p2 8h p i sp3 5d 0.00000( //r2// ) i s2p2 8h p i sp3 6d 0.00000( //r2// ) i s2p2 8h p i sp3 7d 0.00000( //r2// ) i s2p2 8h p i sp3 8d 0.00000( //r2// ) i s2p2 8h p i sp3 9d 0.00000( //r2// ) i s2p2 9h p i s2p3 0.00000( //r2// ) i s2p2 9h p i s2p2 4p 0.00000( //r2// ) i s2p2 9h p i s2p2 5p 0.00000( //r2// ) i s2p2 9h p i s2p2 6p 0.00000( //r2// ) i s2p2 9h p i s2p2 7p 0.00000( //r2// ) i s2p2 9h p i s2p2 8p 0.00000( //r2// ) i s2p2 9h p i s2p2 9p 0.00000( //r2// ) i s2p2 9h p i s2p2 4f 149.36641( 9h//r2// 4f) i s2p2 9h p i s2p2 5f 257.22198( 9h//r2// 5f) i s2p2 9h p i s2p2 6f 240.44643( 9h//r2// 6f) i s2p2 9h p i s2p2 7f -727.08551( 9h//r2// 7f) i s2p2 9h p i s2p2 8f -13938.92805( 9h//r2// 8f) i s2p2 9h p i s2p2 9f 22371.89826( 9h//r2// 9f) i s2p2 9h p i s2p2 6h 124.81760( 9h//r2// 6h) i s2p2 9h p i s2p2 7h 710.41732( 9h//r2// 7h) i s2p2 9h p i s2p2 8h 6145.63160( 9h//r2// 8h) i s2p2 9h p i s2p2 9h -21493.37559( 9h//r2// 9h) i s2p2 9h p i s2p2 8k -948.43497( 9h//r2// 8k) i s2p2 9h p i s2p2 9k 16916.24159( 9h//r2// 9k) i s2p2 9h p i sp3 4s 0.00000( //r2// ) i s2p2 9h p i sp3 5s 0.00000( //r2// ) i s2p2 9h p i sp3 6s 0.00000( //r2// ) i s2p2 9h p i sp3 7s 0.00000( //r2// ) i s2p2 9h p i sp3 8s 0.00000( //r2// ) i s2p2 9h p i sp3 9s 0.00000( //r2// ) i s2p2 9h p i sp3 3d 0.00000( //r2// ) i s2p2 9h p i sp3 4d 0.00000( //r2// ) i s2p2 9h p i sp3 5d 0.00000( //r2// ) i s2p2 9h p i sp3 6d 0.00000( //r2// ) i s2p2 9h p i sp3 7d 0.00000( //r2// ) i s2p2 9h p i sp3 8d 0.00000( //r2// ) i s2p2 9h p i sp3 9d 0.00000( //r2// ) i s2p2 8k p i s2p3 0.00000( //r2// ) i s2p2 8k p i s2p2 4p 0.00000( //r2// ) i s2p2 8k p i s2p2 5p 0.00000( //r2// ) i s2p2 8k p i s2p2 6p 0.00000( //r2// ) i s2p2 8k p i s2p2 7p 0.00000( //r2// ) i s2p2 8k p i s2p2 8p 0.00000( //r2// ) i s2p2 8k p i s2p2 9p 0.00000( //r2// ) i s2p2 8k p i s2p2 4f 0.00000( //r2// ) i s2p2 8k p i s2p2 5f 0.00000( //r2// ) i s2p2 8k p i s2p2 6f 0.00000( //r2// ) i s2p2 8k p i s2p2 7f 0.00000( //r2// ) i s2p2 8k p i s2p2 8f 0.00000( //r2// ) i s2p2 8k p i s2p2 9f 0.00000( //r2// ) i s2p2 8k p i s2p2 6h 3475.09689( 8k//r2// 6h) i s2p2 8k p i s2p2 7h -8895.38004( 8k//r2// 7h) i s2p2 8k p i s2p2 8h 7218.45226( 8k//r2// 8h) i s2p2 8k p i s2p2 9h -948.43497( 8k//r2// 9h) i s2p2 8k p i s2p2 8k -9545.19009( 8k//r2// 8k) i s2p2 8k p i s2p2 9k 4610.00849( 8k//r2// 9k) i s2p2 8k p i sp3 4s 0.00000( //r2// ) i s2p2 8k p i sp3 5s 0.00000( //r2// ) i s2p2 8k p i sp3 6s 0.00000( //r2// ) i s2p2 8k p i sp3 7s 0.00000( //r2// ) i s2p2 8k p i sp3 8s 0.00000( //r2// ) i s2p2 8k p i sp3 9s 0.00000( //r2// ) i s2p2 8k p i sp3 3d 0.00000( //r2// ) i s2p2 8k p i sp3 4d 0.00000( //r2// ) i s2p2 8k p i sp3 5d 0.00000( //r2// ) i s2p2 8k p i sp3 6d 0.00000( //r2// ) i s2p2 8k p i sp3 7d 0.00000( //r2// ) i s2p2 8k p i sp3 8d 0.00000( //r2// ) i s2p2 8k p i sp3 9d 0.00000( //r2// ) i s2p2 9k p i s2p3 0.00000( //r2// ) i s2p2 9k p i s2p2 4p 0.00000( //r2// ) i s2p2 9k p i s2p2 5p 0.00000( //r2// ) i s2p2 9k p i s2p2 6p 0.00000( //r2// ) i s2p2 9k p i s2p2 7p 0.00000( //r2// ) i s2p2 9k p i s2p2 8p 0.00000( //r2// ) i s2p2 9k p i s2p2 9p 0.00000( //r2// ) i s2p2 9k p i s2p2 4f 0.00000( //r2// ) i s2p2 9k p i s2p2 5f 0.00000( //r2// ) i s2p2 9k p i s2p2 6f 0.00000( //r2// ) i s2p2 9k p i s2p2 7f 0.00000( //r2// ) i s2p2 9k p i s2p2 8f 0.00000( //r2// ) i s2p2 9k p i s2p2 9f 0.00000( //r2// ) i s2p2 9k p i s2p2 6h 1655.62661( 9k//r2// 6h) i s2p2 9k p i s2p2 7h 2707.66179( 9k//r2// 7h) i s2p2 9k p i s2p2 8h -16956.73835( 9k//r2// 8h) i s2p2 9k p i s2p2 9h 16916.24159( 9k//r2// 9h) i s2p2 9k p i s2p2 8k 4610.00849( 9k//r2// 8k) i s2p2 9k p i s2p2 9k -18792.08041( 9k//r2// 9k) i s2p2 9k p i sp3 4s 0.00000( //r2// ) i s2p2 9k p i sp3 5s 0.00000( //r2// ) i s2p2 9k p i sp3 6s 0.00000( //r2// ) i s2p2 9k p i sp3 7s 0.00000( //r2// ) i s2p2 9k p i sp3 8s 0.00000( //r2// ) i s2p2 9k p i sp3 9s 0.00000( //r2// ) i s2p2 9k p i sp3 3d 0.00000( //r2// ) i s2p2 9k p i sp3 4d 0.00000( //r2// ) i s2p2 9k p i sp3 5d 0.00000( //r2// ) i s2p2 9k p i sp3 6d 0.00000( //r2// ) i s2p2 9k p i sp3 7d 0.00000( //r2// ) i s2p2 9k p i sp3 8d 0.00000( //r2// ) i s2p2 9k p i sp3 9d 0.00000( //r2// ) i sp3 4s p i s2p3 0.00000( //r2// ) i sp3 4s p i s2p2 4p 0.00000( //r2// ) i sp3 4s p i s2p2 5p 0.00000( //r2// ) i sp3 4s p i s2p2 6p 0.00000( //r2// ) i sp3 4s p i s2p2 7p 0.00000( //r2// ) i sp3 4s p i s2p2 8p 0.00000( //r2// ) i sp3 4s p i s2p2 9p 0.00000( //r2// ) i sp3 4s p i s2p2 4f 0.00000( //r2// ) i sp3 4s p i s2p2 5f 0.00000( //r2// ) i sp3 4s p i s2p2 6f 0.00000( //r2// ) i sp3 4s p i s2p2 7f 0.00000( //r2// ) i sp3 4s p i s2p2 8f 0.00000( //r2// ) i sp3 4s p i s2p2 9f 0.00000( //r2// ) i sp3 4s p i s2p2 6h 0.00000( //r2// ) i sp3 4s p i s2p2 7h 0.00000( //r2// ) i sp3 4s p i s2p2 8h 0.00000( //r2// ) i sp3 4s p i s2p2 9h 0.00000( //r2// ) i sp3 4s p i s2p2 8k 0.00000( //r2// ) i sp3 4s p i s2p2 9k 0.00000( //r2// ) i sp3 4s p i sp3 4s -6.04373( 3p//r2// 3p) i sp3 4s p i sp3 5s 0.00000( //r2// ) i sp3 4s p i sp3 6s 0.00000( //r2// ) i sp3 4s p i sp3 7s 0.00000( //r2// ) i sp3 4s p i sp3 8s 0.00000( //r2// ) i sp3 4s p i sp3 9s 0.00000( //r2// ) i sp3 4s p i sp3 3d -54.02262( 4s//r2// 3d) i sp3 4s p i sp3 4d 13.18471( 4s//r2// 4d) i sp3 4s p i sp3 5d 11.14887( 4s//r2// 5d) i sp3 4s p i sp3 6d 8.06316( 4s//r2// 6d) i sp3 4s p i sp3 7d 6.04748( 4s//r2// 7d) i sp3 4s p i sp3 8d 4.73381( 4s//r2// 8d) i sp3 4s p i sp3 9d 3.83497( 4s//r2// 9d) i sp3 5s p i s2p3 0.00000( //r2// ) i sp3 5s p i s2p2 4p 0.00000( //r2// ) i sp3 5s p i s2p2 5p 0.00000( //r2// ) i sp3 5s p i s2p2 6p 0.00000( //r2// ) i sp3 5s p i s2p2 7p 0.00000( //r2// ) i sp3 5s p i s2p2 8p 0.00000( //r2// ) i sp3 5s p i s2p2 9p 0.00000( //r2// ) i sp3 5s p i s2p2 4f 0.00000( //r2// ) i sp3 5s p i s2p2 5f 0.00000( //r2// ) i sp3 5s p i s2p2 6f 0.00000( //r2// ) i sp3 5s p i s2p2 7f 0.00000( //r2// ) i sp3 5s p i s2p2 8f 0.00000( //r2// ) i sp3 5s p i s2p2 9f 0.00000( //r2// ) i sp3 5s p i s2p2 6h 0.00000( //r2// ) i sp3 5s p i s2p2 7h 0.00000( //r2// ) i sp3 5s p i s2p2 8h 0.00000( //r2// ) i sp3 5s p i s2p2 9h 0.00000( //r2// ) i sp3 5s p i s2p2 8k 0.00000( //r2// ) i sp3 5s p i s2p2 9k 0.00000( //r2// ) i sp3 5s p i sp3 4s 0.00000( //r2// ) i sp3 5s p i sp3 5s -5.91018( 3p//r2// 3p) i sp3 5s p i sp3 6s 0.00000( //r2// ) i sp3 5s p i sp3 7s 0.00000( //r2// ) i sp3 5s p i sp3 8s 0.00000( //r2// ) i sp3 5s p i sp3 9s 0.00000( //r2// ) i sp3 5s p i sp3 3d 101.04977( 5s//r2// 3d) i sp3 5s p i sp3 4d -241.32730( 5s//r2// 4d) i sp3 5s p i sp3 5d 36.25721( 5s//r2// 5d) i sp3 5s p i sp3 6d 28.91809( 5s//r2// 6d) i sp3 5s p i sp3 7d 20.91816( 5s//r2// 7d) i sp3 5s p i sp3 8d 15.82891( 5s//r2// 8d) i sp3 5s p i sp3 9d 12.50694( 5s//r2// 9d) i sp3 6s p i s2p3 0.00000( //r2// ) i sp3 6s p i s2p2 4p 0.00000( //r2// ) i sp3 6s p i s2p2 5p 0.00000( //r2// ) i sp3 6s p i s2p2 6p 0.00000( //r2// ) i sp3 6s p i s2p2 7p 0.00000( //r2// ) i sp3 6s p i s2p2 8p 0.00000( //r2// ) i sp3 6s p i s2p2 9p 0.00000( //r2// ) i sp3 6s p i s2p2 4f 0.00000( //r2// ) i sp3 6s p i s2p2 5f 0.00000( //r2// ) i sp3 6s p i s2p2 6f 0.00000( //r2// ) i sp3 6s p i s2p2 7f 0.00000( //r2// ) i sp3 6s p i s2p2 8f 0.00000( //r2// ) i sp3 6s p i s2p2 9f 0.00000( //r2// ) i sp3 6s p i s2p2 6h 0.00000( //r2// ) i sp3 6s p i s2p2 7h 0.00000( //r2// ) i sp3 6s p i s2p2 8h 0.00000( //r2// ) i sp3 6s p i s2p2 9h 0.00000( //r2// ) i sp3 6s p i s2p2 8k 0.00000( //r2// ) i sp3 6s p i s2p2 9k 0.00000( //r2// ) i sp3 6s p i sp3 4s 0.00000( //r2// ) i sp3 6s p i sp3 5s 0.00000( //r2// ) i sp3 6s p i sp3 6s -5.88504( 3p//r2// 3p) i sp3 6s p i sp3 7s 0.00000( //r2// ) i sp3 6s p i sp3 8s 0.00000( //r2// ) i sp3 6s p i sp3 9s 0.00000( //r2// ) i sp3 6s p i sp3 3d -13.78819( 6s//r2// 3d) i sp3 6s p i sp3 4d 345.66919( 6s//r2// 4d) i sp3 6s p i sp3 5d -710.23529( 6s//r2// 5d) i sp3 6s p i sp3 6d 77.21866( 6s//r2// 6d) i sp3 6s p i sp3 7d 59.11030( 6s//r2// 7d) i sp3 6s p i sp3 8d 42.29900( 6s//r2// 8d) i sp3 6s p i sp3 9d 31.92267( 6s//r2// 9d) i sp3 7s p i s2p3 0.00000( //r2// ) i sp3 7s p i s2p2 4p 0.00000( //r2// ) i sp3 7s p i s2p2 5p 0.00000( //r2// ) i sp3 7s p i s2p2 6p 0.00000( //r2// ) i sp3 7s p i s2p2 7p 0.00000( //r2// ) i sp3 7s p i s2p2 8p 0.00000( //r2// ) i sp3 7s p i s2p2 9p 0.00000( //r2// ) i sp3 7s p i s2p2 4f 0.00000( //r2// ) i sp3 7s p i s2p2 5f 0.00000( //r2// ) i sp3 7s p i s2p2 6f 0.00000( //r2// ) i sp3 7s p i s2p2 7f 0.00000( //r2// ) i sp3 7s p i s2p2 8f 0.00000( //r2// ) i sp3 7s p i s2p2 9f 0.00000( //r2// ) i sp3 7s p i s2p2 6h 0.00000( //r2// ) i sp3 7s p i s2p2 7h 0.00000( //r2// ) i sp3 7s p i s2p2 8h 0.00000( //r2// ) i sp3 7s p i s2p2 9h 0.00000( //r2// ) i sp3 7s p i s2p2 8k 0.00000( //r2// ) i sp3 7s p i s2p2 9k 0.00000( //r2// ) i sp3 7s p i sp3 4s 0.00000( //r2// ) i sp3 7s p i sp3 5s 0.00000( //r2// ) i sp3 7s p i sp3 6s 0.00000( //r2// ) i sp3 7s p i sp3 7s -5.87684( 3p//r2// 3p) i sp3 7s p i sp3 8s 0.00000( //r2// ) i sp3 7s p i sp3 9s 0.00000( //r2// ) i sp3 7s p i sp3 3d -5.40137( 7s//r2// 3d) i sp3 7s p i sp3 4d -17.99548( 7s//r2// 4d) i sp3 7s p i sp3 5d 895.71410( 7s//r2// 5d) i sp3 7s p i sp3 6d -1648.34653( 7s//r2// 6d) i sp3 7s p i sp3 7d 141.59519( 7s//r2// 7d) i sp3 7s p i sp3 8d 105.89107( 7s//r2// 8d) i sp3 7s p i sp3 9d 74.83836( 7s//r2// 9d) i sp3 8s p i s2p3 0.00000( //r2// ) i sp3 8s p i s2p2 4p 0.00000( //r2// ) i sp3 8s p i s2p2 5p 0.00000( //r2// ) i sp3 8s p i s2p2 6p 0.00000( //r2// ) i sp3 8s p i s2p2 7p 0.00000( //r2// ) i sp3 8s p i s2p2 8p 0.00000( //r2// ) i sp3 8s p i s2p2 9p 0.00000( //r2// ) i sp3 8s p i s2p2 4f 0.00000( //r2// ) i sp3 8s p i s2p2 5f 0.00000( //r2// ) i sp3 8s p i s2p2 6f 0.00000( //r2// ) i sp3 8s p i s2p2 7f 0.00000( //r2// ) i sp3 8s p i s2p2 8f 0.00000( //r2// ) i sp3 8s p i s2p2 9f 0.00000( //r2// ) i sp3 8s p i s2p2 6h 0.00000( //r2// ) i sp3 8s p i s2p2 7h 0.00000( //r2// ) i sp3 8s p i s2p2 8h 0.00000( //r2// ) i sp3 8s p i s2p2 9h 0.00000( //r2// ) i sp3 8s p i s2p2 8k 0.00000( //r2// ) i sp3 8s p i s2p2 9k 0.00000( //r2// ) i sp3 8s p i sp3 4s 0.00000( //r2// ) i sp3 8s p i sp3 5s 0.00000( //r2// ) i sp3 8s p i sp3 6s 0.00000( //r2// ) i sp3 8s p i sp3 7s 0.00000( //r2// ) i sp3 8s p i sp3 8s -5.87335( 3p//r2// 3p) i sp3 8s p i sp3 9s 0.00000( //r2// ) i sp3 8s p i sp3 3d -3.10311( 8s//r2// 3d) i sp3 8s p i sp3 4d -8.53394( 8s//r2// 4d) i sp3 8s p i sp3 5d -19.54573( 8s//r2// 5d) i sp3 8s p i sp3 6d 1950.78940( 8s//r2// 6d) i sp3 8s p i sp3 7d -3290.23768( 8s//r2// 7d) i sp3 8s p i sp3 8d 235.32890( 8s//r2// 8d) i sp3 8s p i sp3 9d 173.80812( 8s//r2// 9d) i sp3 9s p i s2p3 0.00000( //r2// ) i sp3 9s p i s2p2 4p 0.00000( //r2// ) i sp3 9s p i s2p2 5p 0.00000( //r2// ) i sp3 9s p i s2p2 6p 0.00000( //r2// ) i sp3 9s p i s2p2 7p 0.00000( //r2// ) i sp3 9s p i s2p2 8p 0.00000( //r2// ) i sp3 9s p i s2p2 9p 0.00000( //r2// ) i sp3 9s p i s2p2 4f 0.00000( //r2// ) i sp3 9s p i s2p2 5f 0.00000( //r2// ) i sp3 9s p i s2p2 6f 0.00000( //r2// ) i sp3 9s p i s2p2 7f 0.00000( //r2// ) i sp3 9s p i s2p2 8f 0.00000( //r2// ) i sp3 9s p i s2p2 9f 0.00000( //r2// ) i sp3 9s p i s2p2 6h 0.00000( //r2// ) i sp3 9s p i s2p2 7h 0.00000( //r2// ) i sp3 9s p i s2p2 8h 0.00000( //r2// ) i sp3 9s p i s2p2 9h 0.00000( //r2// ) i sp3 9s p i s2p2 8k 0.00000( //r2// ) i sp3 9s p i s2p2 9k 0.00000( //r2// ) i sp3 9s p i sp3 4s 0.00000( //r2// ) i sp3 9s p i sp3 5s 0.00000( //r2// ) i sp3 9s p i sp3 6s 0.00000( //r2// ) i sp3 9s p i sp3 7s 0.00000( //r2// ) i sp3 9s p i sp3 8s 0.00000( //r2// ) i sp3 9s p i sp3 9s -5.87161( 3p//r2// 3p) i sp3 9s p i sp3 3d -2.10802( 9s//r2// 3d) i sp3 9s p i sp3 4d -5.14503( 9s//r2// 4d) i sp3 9s p i sp3 5d -12.20372( 9s//r2// 5d) i sp3 9s p i sp3 6d -21.84117( 9s//r2// 6d) i sp3 9s p i sp3 7d 3756.28083( 9s//r2// 7d) i sp3 9s p i sp3 8d -5917.78465( 9s//r2// 8d) i sp3 9s p i sp3 9d 364.78660( 9s//r2// 9d) i sp3 3d p i s2p3 2.93576( 3d//r2// 3s) i sp3 3d p i s2p2 4p 0.00000( //r2// ) i sp3 3d p i s2p2 5p 0.00000( //r2// ) i sp3 3d p i s2p2 6p 0.00000( //r2// ) i sp3 3d p i s2p2 7p 0.00000( //r2// ) i sp3 3d p i s2p2 8p 0.00000( //r2// ) i sp3 3d p i s2p2 9p 0.00000( //r2// ) i sp3 3d p i s2p2 4f 0.00000( //r2// ) i sp3 3d p i s2p2 5f 0.00000( //r2// ) i sp3 3d p i s2p2 6f 0.00000( //r2// ) i sp3 3d p i s2p2 7f 0.00000( //r2// ) i sp3 3d p i s2p2 8f 0.00000( //r2// ) i sp3 3d p i s2p2 9f 0.00000( //r2// ) i sp3 3d p i s2p2 6h 0.00000( //r2// ) i sp3 3d p i s2p2 7h 0.00000( //r2// ) i sp3 3d p i s2p2 8h 0.00000( //r2// ) i sp3 3d p i s2p2 9h 0.00000( //r2// ) i sp3 3d p i s2p2 8k 0.00000( //r2// ) i sp3 3d p i s2p2 9k 0.00000( //r2// ) i sp3 3d p i sp3 4s -54.02262( 3d//r2// 4s) i sp3 3d p i sp3 5s 101.04977( 3d//r2// 5s) i sp3 3d p i sp3 6s -13.78819( 3d//r2// 6s) i sp3 3d p i sp3 7s -5.40137( 3d//r2// 7s) i sp3 3d p i sp3 8s -3.10311( 3d//r2// 8s) i sp3 3d p i sp3 9s -2.10802( 3d//r2// 9s) i sp3 3d p i sp3 3d -101.52403( 3d//r2// 3d) i sp3 3d p i sp3 4d 98.39437( 3d//r2// 4d) i sp3 3d p i sp3 5d 16.24683( 3d//r2// 5d) i sp3 3d p i sp3 6d 5.52535( 3d//r2// 6d) i sp3 3d p i sp3 7d 2.57745( 3d//r2// 7d) i sp3 3d p i sp3 8d 1.43177( 3d//r2// 8d) i sp3 3d p i sp3 9d 0.88713( 3d//r2// 9d) i sp3 4d p i s2p3 2.03554( 4d//r2// 3s) i sp3 4d p i s2p2 4p 0.00000( //r2// ) i sp3 4d p i s2p2 5p 0.00000( //r2// ) i sp3 4d p i s2p2 6p 0.00000( //r2// ) i sp3 4d p i s2p2 7p 0.00000( //r2// ) i sp3 4d p i s2p2 8p 0.00000( //r2// ) i sp3 4d p i s2p2 9p 0.00000( //r2// ) i sp3 4d p i s2p2 4f 0.00000( //r2// ) i sp3 4d p i s2p2 5f 0.00000( //r2// ) i sp3 4d p i s2p2 6f 0.00000( //r2// ) i sp3 4d p i s2p2 7f 0.00000( //r2// ) i sp3 4d p i s2p2 8f 0.00000( //r2// ) i sp3 4d p i s2p2 9f 0.00000( //r2// ) i sp3 4d p i s2p2 6h 0.00000( //r2// ) i sp3 4d p i s2p2 7h 0.00000( //r2// ) i sp3 4d p i s2p2 8h 0.00000( //r2// ) i sp3 4d p i s2p2 9h 0.00000( //r2// ) i sp3 4d p i s2p2 8k 0.00000( //r2// ) i sp3 4d p i s2p2 9k 0.00000( //r2// ) i sp3 4d p i sp3 4s 13.18471( 4d//r2// 4s) i sp3 4d p i sp3 5s -241.32730( 4d//r2// 5s) i sp3 4d p i sp3 6s 345.66919( 4d//r2// 6s) i sp3 4d p i sp3 7s -17.99548( 4d//r2// 7s) i sp3 4d p i sp3 8s -8.53394( 4d//r2// 8s) i sp3 4d p i sp3 9s -5.14503( 4d//r2// 9s) i sp3 4d p i sp3 3d 98.39437( 4d//r2// 3d) i sp3 4d p i sp3 4d -407.49156( 4d//r2// 4d) i sp3 4d p i sp3 5d 289.32173( 4d//r2// 5d) i sp3 4d p i sp3 6d 65.05393( 4d//r2// 6d) i sp3 4d p i sp3 7d 28.64885( 4d//r2// 7d) i sp3 4d p i sp3 8d 16.55120( 4d//r2// 8d) i sp3 4d p i sp3 9d 11.03741( 4d//r2// 9d) i sp3 5d p i s2p3 1.31891( 5d//r2// 3s) i sp3 5d p i s2p2 4p 0.00000( //r2// ) i sp3 5d p i s2p2 5p 0.00000( //r2// ) i sp3 5d p i s2p2 6p 0.00000( //r2// ) i sp3 5d p i s2p2 7p 0.00000( //r2// ) i sp3 5d p i s2p2 8p 0.00000( //r2// ) i sp3 5d p i s2p2 9p 0.00000( //r2// ) i sp3 5d p i s2p2 4f 0.00000( //r2// ) i sp3 5d p i s2p2 5f 0.00000( //r2// ) i sp3 5d p i s2p2 6f 0.00000( //r2// ) i sp3 5d p i s2p2 7f 0.00000( //r2// ) i sp3 5d p i s2p2 8f 0.00000( //r2// ) i sp3 5d p i s2p2 9f 0.00000( //r2// ) i sp3 5d p i s2p2 6h 0.00000( //r2// ) i sp3 5d p i s2p2 7h 0.00000( //r2// ) i sp3 5d p i s2p2 8h 0.00000( //r2// ) i sp3 5d p i s2p2 9h 0.00000( //r2// ) i sp3 5d p i s2p2 8k 0.00000( //r2// ) i sp3 5d p i s2p2 9k 0.00000( //r2// ) i sp3 5d p i sp3 4s 11.14887( 5d//r2// 4s) i sp3 5d p i sp3 5s 36.25721( 5d//r2// 5s) i sp3 5d p i sp3 6s -710.23529( 5d//r2// 6s) i sp3 5d p i sp3 7s 895.71410( 5d//r2// 7s) i sp3 5d p i sp3 8s -19.54573( 5d//r2// 8s) i sp3 5d p i sp3 9s -12.20372( 5d//r2// 9s) i sp3 5d p i sp3 3d 16.24683( 5d//r2// 3d) i sp3 5d p i sp3 4d 289.32173( 5d//r2// 4d) i sp3 5d p i sp3 5d -1153.11146( 5d//r2// 5d) i sp3 5d p i sp3 6d 678.77084( 5d//r2// 6d) i sp3 5d p i sp3 7d 163.50241( 5d//r2// 7d) i sp3 5d p i sp3 8d 75.25033( 5d//r2// 8d) i sp3 5d p i sp3 9d 44.78241( 5d//r2// 9d) i sp3 6d p i s2p3 0.91551( 6d//r2// 3s) i sp3 6d p i s2p2 4p 0.00000( //r2// ) i sp3 6d p i s2p2 5p 0.00000( //r2// ) i sp3 6d p i s2p2 6p 0.00000( //r2// ) i sp3 6d p i s2p2 7p 0.00000( //r2// ) i sp3 6d p i s2p2 8p 0.00000( //r2// ) i sp3 6d p i s2p2 9p 0.00000( //r2// ) i sp3 6d p i s2p2 4f 0.00000( //r2// ) i sp3 6d p i s2p2 5f 0.00000( //r2// ) i sp3 6d p i s2p2 6f 0.00000( //r2// ) i sp3 6d p i s2p2 7f 0.00000( //r2// ) i sp3 6d p i s2p2 8f 0.00000( //r2// ) i sp3 6d p i s2p2 9f 0.00000( //r2// ) i sp3 6d p i s2p2 6h 0.00000( //r2// ) i sp3 6d p i s2p2 7h 0.00000( //r2// ) i sp3 6d p i s2p2 8h 0.00000( //r2// ) i sp3 6d p i s2p2 9h 0.00000( //r2// ) i sp3 6d p i s2p2 8k 0.00000( //r2// ) i sp3 6d p i s2p2 9k 0.00000( //r2// ) i sp3 6d p i sp3 4s 8.06316( 6d//r2// 4s) i sp3 6d p i sp3 5s 28.91809( 6d//r2// 5s) i sp3 6d p i sp3 6s 77.21866( 6d//r2// 6s) i sp3 6d p i sp3 7s -1648.34653( 6d//r2// 7s) i sp3 6d p i sp3 8s 1950.78940( 6d//r2// 8s) i sp3 6d p i sp3 9s -21.84117( 6d//r2// 9s) i sp3 6d p i sp3 3d 5.52535( 6d//r2// 3d) i sp3 6d p i sp3 4d 65.05393( 6d//r2// 4d) i sp3 6d p i sp3 5d 678.77084( 6d//r2// 5d) i sp3 6d p i sp3 6d -2627.75194( 6d//r2// 6d) i sp3 6d p i sp3 7d 1386.04621( 6d//r2// 7d) i sp3 6d p i sp3 8d 336.80385( 6d//r2// 8d) i sp3 6d p i sp3 9d 155.67944( 6d//r2// 9d) i sp3 7d p i s2p3 0.67880( 7d//r2// 3s) i sp3 7d p i s2p2 4p 0.00000( //r2// ) i sp3 7d p i s2p2 5p 0.00000( //r2// ) i sp3 7d p i s2p2 6p 0.00000( //r2// ) i sp3 7d p i s2p2 7p 0.00000( //r2// ) i sp3 7d p i s2p2 8p 0.00000( //r2// ) i sp3 7d p i s2p2 9p 0.00000( //r2// ) i sp3 7d p i s2p2 4f 0.00000( //r2// ) i sp3 7d p i s2p2 5f 0.00000( //r2// ) i sp3 7d p i s2p2 6f 0.00000( //r2// ) i sp3 7d p i s2p2 7f 0.00000( //r2// ) i sp3 7d p i s2p2 8f 0.00000( //r2// ) i sp3 7d p i s2p2 9f 0.00000( //r2// ) i sp3 7d p i s2p2 6h 0.00000( //r2// ) i sp3 7d p i s2p2 7h 0.00000( //r2// ) i sp3 7d p i s2p2 8h 0.00000( //r2// ) i sp3 7d p i s2p2 9h 0.00000( //r2// ) i sp3 7d p i s2p2 8k 0.00000( //r2// ) i sp3 7d p i s2p2 9k 0.00000( //r2// ) i sp3 7d p i sp3 4s 6.04748( 7d//r2// 4s) i sp3 7d p i sp3 5s 20.91816( 7d//r2// 5s) i sp3 7d p i sp3 6s 59.11030( 7d//r2// 6s) i sp3 7d p i sp3 7s 141.59519( 7d//r2// 7s) i sp3 7d p i sp3 8s -3290.23768( 7d//r2// 8s) i sp3 7d p i sp3 9s 3756.28083( 7d//r2// 9s) i sp3 7d p i sp3 3d 2.57745( 7d//r2// 3d) i sp3 7d p i sp3 4d 28.64885( 7d//r2// 4d) i sp3 7d p i sp3 5d 163.50241( 7d//r2// 5d) i sp3 7d p i sp3 6d 1386.04621( 7d//r2// 6d) i sp3 7d p i sp3 7d -5192.17721( 7d//r2// 7d) i sp3 7d p i sp3 8d 2552.31538( 7d//r2// 8d) i sp3 7d p i sp3 9d 615.86046( 7d//r2// 9d) i sp3 8d p i s2p3 0.52844( 8d//r2// 3s) i sp3 8d p i s2p2 4p 0.00000( //r2// ) i sp3 8d p i s2p2 5p 0.00000( //r2// ) i sp3 8d p i s2p2 6p 0.00000( //r2// ) i sp3 8d p i s2p2 7p 0.00000( //r2// ) i sp3 8d p i s2p2 8p 0.00000( //r2// ) i sp3 8d p i s2p2 9p 0.00000( //r2// ) i sp3 8d p i s2p2 4f 0.00000( //r2// ) i sp3 8d p i s2p2 5f 0.00000( //r2// ) i sp3 8d p i s2p2 6f 0.00000( //r2// ) i sp3 8d p i s2p2 7f 0.00000( //r2// ) i sp3 8d p i s2p2 8f 0.00000( //r2// ) i sp3 8d p i s2p2 9f 0.00000( //r2// ) i sp3 8d p i s2p2 6h 0.00000( //r2// ) i sp3 8d p i s2p2 7h 0.00000( //r2// ) i sp3 8d p i s2p2 8h 0.00000( //r2// ) i sp3 8d p i s2p2 9h 0.00000( //r2// ) i sp3 8d p i s2p2 8k 0.00000( //r2// ) i sp3 8d p i s2p2 9k 0.00000( //r2// ) i sp3 8d p i sp3 4s 4.73381( 8d//r2// 4s) i sp3 8d p i sp3 5s 15.82891( 8d//r2// 5s) i sp3 8d p i sp3 6s 42.29900( 8d//r2// 6s) i sp3 8d p i sp3 7s 105.89107( 8d//r2// 7s) i sp3 8d p i sp3 8s 235.32890( 8d//r2// 8s) i sp3 8d p i sp3 9s -5917.78465( 8d//r2// 9s) i sp3 8d p i sp3 3d 1.43177( 8d//r2// 3d) i sp3 8d p i sp3 4d 16.55120( 8d//r2// 4d) i sp3 8d p i sp3 5d 75.25033( 8d//r2// 5d) i sp3 8d p i sp3 6d 336.80385( 8d//r2// 6d) i sp3 8d p i sp3 7d 2552.31538( 8d//r2// 7d) i sp3 8d p i sp3 8d -9278.81010( 8d//r2// 8d) i sp3 8d p i sp3 9d 4342.57676( 8d//r2// 9d) i sp3 9d p i s2p3 0.42639( 9d//r2// 3s) i sp3 9d p i s2p2 4p 0.00000( //r2// ) i sp3 9d p i s2p2 5p 0.00000( //r2// ) i sp3 9d p i s2p2 6p 0.00000( //r2// ) i sp3 9d p i s2p2 7p 0.00000( //r2// ) i sp3 9d p i s2p2 8p 0.00000( //r2// ) i sp3 9d p i s2p2 9p 0.00000( //r2// ) i sp3 9d p i s2p2 4f 0.00000( //r2// ) i sp3 9d p i s2p2 5f 0.00000( //r2// ) i sp3 9d p i s2p2 6f 0.00000( //r2// ) i sp3 9d p i s2p2 7f 0.00000( //r2// ) i sp3 9d p i s2p2 8f 0.00000( //r2// ) i sp3 9d p i s2p2 9f 0.00000( //r2// ) i sp3 9d p i s2p2 6h 0.00000( //r2// ) i sp3 9d p i s2p2 7h 0.00000( //r2// ) i sp3 9d p i s2p2 8h 0.00000( //r2// ) i sp3 9d p i s2p2 9h 0.00000( //r2// ) i sp3 9d p i s2p2 8k 0.00000( //r2// ) i sp3 9d p i s2p2 9k 0.00000( //r2// ) i sp3 9d p i sp3 4s 3.83497( 9d//r2// 4s) i sp3 9d p i sp3 5s 12.50694( 9d//r2// 5s) i sp3 9d p i sp3 6s 31.92267( 9d//r2// 6s) i sp3 9d p i sp3 7s 74.83836( 9d//r2// 7s) i sp3 9d p i sp3 8s 173.80812( 9d//r2// 8s) i sp3 9d p i sp3 9s 364.78660( 9d//r2// 9s) i sp3 9d p i sp3 3d 0.88713( 9d//r2// 3d) i sp3 9d p i sp3 4d 11.03741( 9d//r2// 4d) i sp3 9d p i sp3 5d 44.78241( 9d//r2// 5d) i sp3 9d p i sp3 6d 155.67944( 9d//r2// 6d) i sp3 9d p i sp3 7d 615.86046( 9d//r2// 7d) i sp3 9d p i sp3 8d 4342.57676( 9d//r2// 8d) i sp3 9d p i sp3 9d -15391.71960( 9d//r2// 9d) i s2p2 4s p i s2p2 4s -6.22538( 3p//r2// 3p) i s2p2 4s p i s2p2 5s 0.00000( //r2// ) i s2p2 4s p i s2p2 6s 0.00000( //r2// ) i s2p2 4s p i s2p2 7s 0.00000( //r2// ) i s2p2 4s p i s2p2 8s 0.00000( //r2// ) i s2p2 4s p i s2p2 9s 0.00000( //r2// ) i s2p2 4s p i s2p2 3d -56.58089( 4s//r2// 3d) i s2p2 4s p i s2p2 4d 10.90738( 4s//r2// 4d) i s2p2 4s p i s2p2 5d 10.24109( 4s//r2// 5d) i s2p2 4s p i s2p2 6d 7.70007( 4s//r2// 6d) i s2p2 4s p i s2p2 7d 5.89057( 4s//r2// 7d) i s2p2 4s p i s2p2 8d 4.66419( 4s//r2// 8d) i s2p2 4s p i s2p2 9d 3.80631( 4s//r2// 9d) i s2p2 4s p i s2p2 5g 0.00000( //r2// ) i s2p2 4s p i s2p2 6g 0.00000( //r2// ) i s2p2 4s p i s2p2 7g 0.00000( //r2// ) i s2p2 4s p i s2p2 8g 0.00000( //r2// ) i s2p2 4s p i s2p2 9g 0.00000( //r2// ) i s2p2 4s p i s2p2 7i 0.00000( //r2// ) i s2p2 4s p i s2p2 8i 0.00000( //r2// ) i s2p2 4s p i s2p2 9i 0.00000( //r2// ) i s2p2 4s p i sp4 0.00000( //r2// ) i s2p2 4s p i sp3 4p 0.00000( //r2// ) i s2p2 4s p i sp3 5p 0.00000( //r2// ) i s2p2 4s p i sp3 6p 0.00000( //r2// ) i s2p2 4s p i sp3 7p 0.00000( //r2// ) i s2p2 4s p i sp3 8p 0.00000( //r2// ) i s2p2 4s p i sp3 9p 0.00000( //r2// ) i s2p2 4s p i sp3 4f 0.00000( //r2// ) i s2p2 4s p i sp3 5f 0.00000( //r2// ) i s2p2 4s p i sp3 6f 0.00000( //r2// ) i s2p2 4s p i sp3 7f 0.00000( //r2// ) i s2p2 4s p i sp3 8f 0.00000( //r2// ) i s2p2 4s p i sp3 9f 0.00000( //r2// ) i s2p2 5s p i s2p2 4s 0.00000( //r2// ) i s2p2 5s p i s2p2 5s -6.07868( 3p//r2// 3p) i s2p2 5s p i s2p2 6s 0.00000( //r2// ) i s2p2 5s p i s2p2 7s 0.00000( //r2// ) i s2p2 5s p i s2p2 8s 0.00000( //r2// ) i s2p2 5s p i s2p2 9s 0.00000( //r2// ) i s2p2 5s p i s2p2 3d 107.56038( 5s//r2// 3d) i s2p2 5s p i s2p2 4d -246.32078( 5s//r2// 4d) i s2p2 5s p i s2p2 5d 27.49080( 5s//r2// 5d) i s2p2 5s p i s2p2 6d 25.60362( 5s//r2// 6d) i s2p2 5s p i s2p2 7d 19.35406( 5s//r2// 7d) i s2p2 5s p i s2p2 8d 14.96291( 5s//r2// 8d) i s2p2 5s p i s2p2 9d 11.97240( 5s//r2// 9d) i s2p2 5s p i s2p2 5g 0.00000( //r2// ) i s2p2 5s p i s2p2 6g 0.00000( //r2// ) i s2p2 5s p i s2p2 7g 0.00000( //r2// ) i s2p2 5s p i s2p2 8g 0.00000( //r2// ) i s2p2 5s p i s2p2 9g 0.00000( //r2// ) i s2p2 5s p i s2p2 7i 0.00000( //r2// ) i s2p2 5s p i s2p2 8i 0.00000( //r2// ) i s2p2 5s p i s2p2 9i 0.00000( //r2// ) i s2p2 5s p i sp4 0.00000( //r2// ) i s2p2 5s p i sp3 4p 0.00000( //r2// ) i s2p2 5s p i sp3 5p 0.00000( //r2// ) i s2p2 5s p i sp3 6p 0.00000( //r2// ) i s2p2 5s p i sp3 7p 0.00000( //r2// ) i s2p2 5s p i sp3 8p 0.00000( //r2// ) i s2p2 5s p i sp3 9p 0.00000( //r2// ) i s2p2 5s p i sp3 4f 0.00000( //r2// ) i s2p2 5s p i sp3 5f 0.00000( //r2// ) i s2p2 5s p i sp3 6f 0.00000( //r2// ) i s2p2 5s p i sp3 7f 0.00000( //r2// ) i s2p2 5s p i sp3 8f 0.00000( //r2// ) i s2p2 5s p i sp3 9f 0.00000( //r2// ) i s2p2 6s p i s2p2 4s 0.00000( //r2// ) i s2p2 6s p i s2p2 5s 0.00000( //r2// ) i s2p2 6s p i s2p2 6s -6.05177( 3p//r2// 3p) i s2p2 6s p i s2p2 7s 0.00000( //r2// ) i s2p2 6s p i s2p2 8s 0.00000( //r2// ) i s2p2 6s p i s2p2 9s 0.00000( //r2// ) i s2p2 6s p i s2p2 3d -15.62097( 6s//r2// 3d) i s2p2 6s p i s2p2 4d 373.07445( 6s//r2// 4d) i s2p2 6s p i s2p2 5d -715.20224( 6s//r2// 5d) i s2p2 6s p i s2p2 6d 55.81705( 6s//r2// 6d) i s2p2 6s p i s2p2 7d 51.03656( 6s//r2// 7d) i s2p2 6s p i s2p2 8d 38.28381( 6s//r2// 8d) i s2p2 6s p i s2p2 9d 29.55938( 6s//r2// 9d) i s2p2 6s p i s2p2 5g 0.00000( //r2// ) i s2p2 6s p i s2p2 6g 0.00000( //r2// ) i s2p2 6s p i s2p2 7g 0.00000( //r2// ) i s2p2 6s p i s2p2 8g 0.00000( //r2// ) i s2p2 6s p i s2p2 9g 0.00000( //r2// ) i s2p2 6s p i s2p2 7i 0.00000( //r2// ) i s2p2 6s p i s2p2 8i 0.00000( //r2// ) i s2p2 6s p i s2p2 9i 0.00000( //r2// ) i s2p2 6s p i sp4 0.00000( //r2// ) i s2p2 6s p i sp3 4p 0.00000( //r2// ) i s2p2 6s p i sp3 5p 0.00000( //r2// ) i s2p2 6s p i sp3 6p 0.00000( //r2// ) i s2p2 6s p i sp3 7p 0.00000( //r2// ) i s2p2 6s p i sp3 8p 0.00000( //r2// ) i s2p2 6s p i sp3 9p 0.00000( //r2// ) i s2p2 6s p i sp3 4f 0.00000( //r2// ) i s2p2 6s p i sp3 5f 0.00000( //r2// ) i s2p2 6s p i sp3 6f 0.00000( //r2// ) i s2p2 6s p i sp3 7f 0.00000( //r2// ) i s2p2 6s p i sp3 8f 0.00000( //r2// ) i s2p2 6s p i sp3 9f 0.00000( //r2// ) i s2p2 7s p i s2p2 4s 0.00000( //r2// ) i s2p2 7s p i s2p2 5s 0.00000( //r2// ) i s2p2 7s p i s2p2 6s 0.00000( //r2// ) i s2p2 7s p i s2p2 7s -6.04313( 3p//r2// 3p) i s2p2 7s p i s2p2 8s 0.00000( //r2// ) i s2p2 7s p i s2p2 9s 0.00000( //r2// ) i s2p2 7s p i s2p2 3d -6.05093( 7s//r2// 3d) i s2p2 7s p i s2p2 4d -27.65780( 7s//r2// 4d) i s2p2 7s p i s2p2 5d 960.05842( 7s//r2// 5d) i s2p2 7s p i s2p2 6d -1648.78784( 7s//r2// 6d) i s2p2 7s p i s2p2 7d 98.77027( 7s//r2// 7d) i s2p2 7s p i s2p2 8d 89.72637( 7s//r2// 8d) i s2p2 7s p i s2p2 9d 66.63153( 7s//r2// 9d) i s2p2 7s p i s2p2 5g 0.00000( //r2// ) i s2p2 7s p i s2p2 6g 0.00000( //r2// ) i s2p2 7s p i s2p2 7g 0.00000( //r2// ) i s2p2 7s p i s2p2 8g 0.00000( //r2// ) i s2p2 7s p i s2p2 9g 0.00000( //r2// ) i s2p2 7s p i s2p2 7i 0.00000( //r2// ) i s2p2 7s p i s2p2 8i 0.00000( //r2// ) i s2p2 7s p i s2p2 9i 0.00000( //r2// ) i s2p2 7s p i sp4 0.00000( //r2// ) i s2p2 7s p i sp3 4p 0.00000( //r2// ) i s2p2 7s p i sp3 5p 0.00000( //r2// ) i s2p2 7s p i sp3 6p 0.00000( //r2// ) i s2p2 7s p i sp3 7p 0.00000( //r2// ) i s2p2 7s p i sp3 8p 0.00000( //r2// ) i s2p2 7s p i sp3 9p 0.00000( //r2// ) i s2p2 7s p i sp3 4f 0.00000( //r2// ) i s2p2 7s p i sp3 5f 0.00000( //r2// ) i s2p2 7s p i sp3 6f 0.00000( //r2// ) i s2p2 7s p i sp3 7f 0.00000( //r2// ) i s2p2 7s p i sp3 8f 0.00000( //r2// ) i s2p2 7s p i sp3 9f 0.00000( //r2// ) i s2p2 8s p i s2p2 4s 0.00000( //r2// ) i s2p2 8s p i s2p2 5s 0.00000( //r2// ) i s2p2 8s p i s2p2 6s 0.00000( //r2// ) i s2p2 8s p i s2p2 7s 0.00000( //r2// ) i s2p2 8s p i s2p2 8s -6.03948( 3p//r2// 3p) i s2p2 8s p i s2p2 9s 0.00000( //r2// ) i s2p2 8s p i s2p2 3d -3.46470( 8s//r2// 3d) i s2p2 8s p i s2p2 4d -12.13368( 8s//r2// 4d) i s2p2 8s p i s2p2 5d -42.26826( 8s//r2// 5d) i s2p2 8s p i s2p2 6d 2072.90343( 8s//r2// 6d) i s2p2 8s p i s2p2 7d -3278.00131( 8s//r2// 7d) i s2p2 8s p i s2p2 8d 159.08647( 8s//r2// 8d) i s2p2 8s p i s2p2 9d 145.09256( 8s//r2// 9d) i s2p2 8s p i s2p2 5g 0.00000( //r2// ) i s2p2 8s p i s2p2 6g 0.00000( //r2// ) i s2p2 8s p i s2p2 7g 0.00000( //r2// ) i s2p2 8s p i s2p2 8g 0.00000( //r2// ) i s2p2 8s p i s2p2 9g 0.00000( //r2// ) i s2p2 8s p i s2p2 7i 0.00000( //r2// ) i s2p2 8s p i s2p2 8i 0.00000( //r2// ) i s2p2 8s p i s2p2 9i 0.00000( //r2// ) i s2p2 8s p i sp4 0.00000( //r2// ) i s2p2 8s p i sp3 4p 0.00000( //r2// ) i s2p2 8s p i sp3 5p 0.00000( //r2// ) i s2p2 8s p i sp3 6p 0.00000( //r2// ) i s2p2 8s p i sp3 7p 0.00000( //r2// ) i s2p2 8s p i sp3 8p 0.00000( //r2// ) i s2p2 8s p i sp3 9p 0.00000( //r2// ) i s2p2 8s p i sp3 4f 0.00000( //r2// ) i s2p2 8s p i sp3 5f 0.00000( //r2// ) i s2p2 8s p i sp3 6f 0.00000( //r2// ) i s2p2 8s p i sp3 7f 0.00000( //r2// ) i s2p2 8s p i sp3 8f 0.00000( //r2// ) i s2p2 8s p i sp3 9f 0.00000( //r2// ) i s2p2 9s p i s2p2 4s 0.00000( //r2// ) i s2p2 9s p i s2p2 5s 0.00000( //r2// ) i s2p2 9s p i s2p2 6s 0.00000( //r2// ) i s2p2 9s p i s2p2 7s 0.00000( //r2// ) i s2p2 9s p i s2p2 8s 0.00000( //r2// ) i s2p2 9s p i s2p2 9s -6.03766( 3p//r2// 3p) i s2p2 9s p i s2p2 3d -2.35022( 9s//r2// 3d) i s2p2 9s p i s2p2 4d -7.14866( 9s//r2// 4d) i s2p2 9s p i s2p2 5d -20.93373( 9s//r2// 5d) i s2p2 9s p i s2p2 6d -65.31156( 9s//r2// 6d) i s2p2 9s p i s2p2 7d 3964.19303( 9s//r2// 7d) i s2p2 9s p i s2p2 8d -5879.94690( 9s//r2// 8d) i s2p2 9s p i s2p2 9d 239.43422( 9s//r2// 9d) i s2p2 9s p i s2p2 5g 0.00000( //r2// ) i s2p2 9s p i s2p2 6g 0.00000( //r2// ) i s2p2 9s p i s2p2 7g 0.00000( //r2// ) i s2p2 9s p i s2p2 8g 0.00000( //r2// ) i s2p2 9s p i s2p2 9g 0.00000( //r2// ) i s2p2 9s p i s2p2 7i 0.00000( //r2// ) i s2p2 9s p i s2p2 8i 0.00000( //r2// ) i s2p2 9s p i s2p2 9i 0.00000( //r2// ) i s2p2 9s p i sp4 0.00000( //r2// ) i s2p2 9s p i sp3 4p 0.00000( //r2// ) i s2p2 9s p i sp3 5p 0.00000( //r2// ) i s2p2 9s p i sp3 6p 0.00000( //r2// ) i s2p2 9s p i sp3 7p 0.00000( //r2// ) i s2p2 9s p i sp3 8p 0.00000( //r2// ) i s2p2 9s p i sp3 9p 0.00000( //r2// ) i s2p2 9s p i sp3 4f 0.00000( //r2// ) i s2p2 9s p i sp3 5f 0.00000( //r2// ) i s2p2 9s p i sp3 6f 0.00000( //r2// ) i s2p2 9s p i sp3 7f 0.00000( //r2// ) i s2p2 9s p i sp3 8f 0.00000( //r2// ) i s2p2 9s p i sp3 9f 0.00000( //r2// ) i s2p2 3d p i s2p2 4s -56.58089( 3d//r2// 4s) i s2p2 3d p i s2p2 5s 107.56038( 3d//r2// 5s) i s2p2 3d p i s2p2 6s -15.62097( 3d//r2// 6s) i s2p2 3d p i s2p2 7s -6.05093( 3d//r2// 7s) i s2p2 3d p i s2p2 8s -3.46470( 3d//r2// 8s) i s2p2 3d p i s2p2 9s -2.35022( 3d//r2// 9s) i s2p2 3d p i s2p2 3d -109.26058( 3d//r2// 3d) i s2p2 3d p i s2p2 4d 101.42322( 3d//r2// 4d) i s2p2 3d p i s2p2 5d 18.36205( 3d//r2// 5d) i s2p2 3d p i s2p2 6d 6.62950( 3d//r2// 6d) i s2p2 3d p i s2p2 7d 3.22988( 3d//r2// 7d) i s2p2 3d p i s2p2 8d 1.85990( 3d//r2// 8d) i s2p2 3d p i s2p2 9d 1.19010( 3d//r2// 9d) i s2p2 3d p i s2p2 5g 122.03875( 3d//r2// 5g) i s2p2 3d p i s2p2 6g 76.62224( 3d//r2// 6g) i s2p2 3d p i s2p2 7g 53.57143( 3d//r2// 7g) i s2p2 3d p i s2p2 8g 40.36601( 3d//r2// 8g) i s2p2 3d p i s2p2 9g 31.97217( 3d//r2// 9g) i s2p2 3d p i s2p2 7i 0.00000( //r2// ) i s2p2 3d p i s2p2 8i 0.00000( //r2// ) i s2p2 3d p i s2p2 9i 0.00000( //r2// ) i s2p2 3d p i sp4 0.00000( //r2// ) i s2p2 3d p i sp3 4p 0.00000( //r2// ) i s2p2 3d p i sp3 5p 0.00000( //r2// ) i s2p2 3d p i sp3 6p 0.00000( //r2// ) i s2p2 3d p i sp3 7p 0.00000( //r2// ) i s2p2 3d p i sp3 8p 0.00000( //r2// ) i s2p2 3d p i sp3 9p 0.00000( //r2// ) i s2p2 3d p i sp3 4f 0.00000( //r2// ) i s2p2 3d p i sp3 5f 0.00000( //r2// ) i s2p2 3d p i sp3 6f 0.00000( //r2// ) i s2p2 3d p i sp3 7f 0.00000( //r2// ) i s2p2 3d p i sp3 8f 0.00000( //r2// ) i s2p2 3d p i sp3 9f 0.00000( //r2// ) i s2p2 4d p i s2p2 4s 10.90738( 4d//r2// 4s) i s2p2 4d p i s2p2 5s -246.32078( 4d//r2// 5s) i s2p2 4d p i s2p2 6s 373.07445( 4d//r2// 6s) i s2p2 4d p i s2p2 7s -27.65780( 4d//r2// 7s) i s2p2 4d p i s2p2 8s -12.13368( 4d//r2// 8s) i s2p2 4d p i s2p2 9s -7.14866( 4d//r2// 9s) i s2p2 4d p i s2p2 3d 101.42322( 4d//r2// 3d) i s2p2 4d p i s2p2 4d -434.27085( 4d//r2// 4d) i s2p2 4d p i s2p2 5d 303.78711( 4d//r2// 5d) i s2p2 4d p i s2p2 6d 68.64277( 4d//r2// 6d) i s2p2 4d p i s2p2 7d 30.12420( 4d//r2// 7d) i s2p2 4d p i s2p2 8d 17.30324( 4d//r2// 8d) i s2p2 4d p i s2p2 9d 11.46968( 4d//r2// 9d) i s2p2 4d p i s2p2 5g -703.56676( 4d//r2// 5g) i s2p2 4d p i s2p2 6g -95.48006( 4d//r2// 6g) i s2p2 4d p i s2p2 7g -15.07911( 4d//r2// 7g) i s2p2 4d p i s2p2 8g 3.62363( 4d//r2// 8g) i s2p2 4d p i s2p2 9g 8.81922( 4d//r2// 9g) i s2p2 4d p i s2p2 7i 0.00000( //r2// ) i s2p2 4d p i s2p2 8i 0.00000( //r2// ) i s2p2 4d p i s2p2 9i 0.00000( //r2// ) i s2p2 4d p i sp4 0.00000( //r2// ) i s2p2 4d p i sp3 4p 0.00000( //r2// ) i s2p2 4d p i sp3 5p 0.00000( //r2// ) i s2p2 4d p i sp3 6p 0.00000( //r2// ) i s2p2 4d p i sp3 7p 0.00000( //r2// ) i s2p2 4d p i sp3 8p 0.00000( //r2// ) i s2p2 4d p i sp3 9p 0.00000( //r2// ) i s2p2 4d p i sp3 4f 0.00000( //r2// ) i s2p2 4d p i sp3 5f 0.00000( //r2// ) i s2p2 4d p i sp3 6f 0.00000( //r2// ) i s2p2 4d p i sp3 7f 0.00000( //r2// ) i s2p2 4d p i sp3 8f 0.00000( //r2// ) i s2p2 4d p i sp3 9f 0.00000( //r2// ) i s2p2 5d p i s2p2 4s 10.24109( 5d//r2// 4s) i s2p2 5d p i s2p2 5s 27.49080( 5d//r2// 5s) i s2p2 5d p i s2p2 6s -715.20224( 5d//r2// 6s) i s2p2 5d p i s2p2 7s 960.05842( 5d//r2// 7s) i s2p2 5d p i s2p2 8s -42.26826( 5d//r2// 8s) i s2p2 5d p i s2p2 9s -20.93373( 5d//r2// 9s) i s2p2 5d p i s2p2 3d 18.36205( 5d//r2// 3d) i s2p2 5d p i s2p2 4d 303.78711( 5d//r2// 4d) i s2p2 5d p i s2p2 5d -1208.82364( 5d//r2// 5d) i s2p2 5d p i s2p2 6d 709.84848( 5d//r2// 6d) i s2p2 5d p i s2p2 7d 170.08649( 5d//r2// 7d) i s2p2 5d p i s2p2 8d 77.80941( 5d//r2// 8d) i s2p2 5d p i s2p2 9d 46.04788( 5d//r2// 9d) i s2p2 5d p i s2p2 5g 1280.06232( 5d//r2// 5g) i s2p2 5d p i s2p2 6g -1356.26298( 5d//r2// 6g) i s2p2 5d p i s2p2 7g -386.48616( 5d//r2// 7g) i s2p2 5d p i s2p2 8g -171.89950( 5d//r2// 8g) i s2p2 5d p i s2p2 9g -95.62426( 5d//r2// 9g) i s2p2 5d p i s2p2 7i 0.00000( //r2// ) i s2p2 5d p i s2p2 8i 0.00000( //r2// ) i s2p2 5d p i s2p2 9i 0.00000( //r2// ) i s2p2 5d p i sp4 0.00000( //r2// ) i s2p2 5d p i sp3 4p 0.00000( //r2// ) i s2p2 5d p i sp3 5p 0.00000( //r2// ) i s2p2 5d p i sp3 6p 0.00000( //r2// ) i s2p2 5d p i sp3 7p 0.00000( //r2// ) i s2p2 5d p i sp3 8p 0.00000( //r2// ) i s2p2 5d p i sp3 9p 0.00000( //r2// ) i s2p2 5d p i sp3 4f 0.00000( //r2// ) i s2p2 5d p i sp3 5f 0.00000( //r2// ) i s2p2 5d p i sp3 6f 0.00000( //r2// ) i s2p2 5d p i sp3 7f 0.00000( //r2// ) i s2p2 5d p 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4s 4.66419( 8d//r2// 4s) i s2p2 8d p i s2p2 5s 14.96291( 8d//r2// 5s) i s2p2 8d p i s2p2 6s 38.28381( 8d//r2// 6s) i s2p2 8d p i s2p2 7s 89.72637( 8d//r2// 7s) i s2p2 8d p i s2p2 8s 159.08647( 8d//r2// 8s) i s2p2 8d p i s2p2 9s -5879.94690( 8d//r2// 9s) i s2p2 8d p i s2p2 3d 1.85990( 8d//r2// 3d) i s2p2 8d p i s2p2 4d 17.30324( 8d//r2// 4d) i s2p2 8d p i s2p2 5d 77.80941( 8d//r2// 5d) i s2p2 8d p i s2p2 6d 347.75592( 8d//r2// 6d) i s2p2 8d p i s2p2 7d 2631.62978( 8d//r2// 7d) i s2p2 8d p i s2p2 8d -9512.37519( 8d//r2// 8d) i s2p2 8d p i s2p2 9d 4456.21061( 8d//r2// 9d) i s2p2 8d p i s2p2 5g -31.55502( 8d//r2// 5g) i s2p2 8d p i s2p2 6g -214.49724( 8d//r2// 6g) i s2p2 8d p i s2p2 7g -3981.66115( 8d//r2// 7g) i s2p2 8d p i s2p2 8g 12964.83442( 8d//r2// 8g) i s2p2 8d p i s2p2 9g -4749.40852( 8d//r2// 9g) i s2p2 8d p i s2p2 7i 0.00000( //r2// ) i s2p2 8d p i s2p2 8i 0.00000( //r2// ) i s2p2 8d p i s2p2 9i 0.00000( //r2// ) i s2p2 8d p i sp4 0.00000( //r2// ) i s2p2 8d p i sp3 4p 0.00000( 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0.00000( //r2// ) i s2p2 5g p i sp3 8p 0.00000( //r2// ) i s2p2 5g p i sp3 9p 0.00000( //r2// ) i s2p2 5g p i sp3 4f 0.00000( //r2// ) i s2p2 5g p i sp3 5f 0.00000( //r2// ) i s2p2 5g p i sp3 6f 0.00000( //r2// ) i s2p2 5g p i sp3 7f 0.00000( //r2// ) i s2p2 5g p i sp3 8f 0.00000( //r2// ) i s2p2 5g p i sp3 9f 0.00000( //r2// ) i s2p2 6g p i s2p2 4s 0.00000( //r2// ) i s2p2 6g p i s2p2 5s 0.00000( //r2// ) i s2p2 6g p i s2p2 6s 0.00000( //r2// ) i s2p2 6g p i s2p2 7s 0.00000( //r2// ) i s2p2 6g p i s2p2 8s 0.00000( //r2// ) i s2p2 6g p i s2p2 9s 0.00000( //r2// ) i s2p2 6g p i s2p2 3d 76.62224( 6g//r2// 3d) i s2p2 6g p i s2p2 4d -95.48006( 6g//r2// 4d) i s2p2 6g p i s2p2 5d -1356.26298( 6g//r2// 5d) i s2p2 6g p i s2p2 6d 3457.79523( 6g//r2// 6d) i s2p2 6g p i s2p2 7d -1763.97265( 6g//r2// 7d) i s2p2 6g p i s2p2 8d -214.49724( 6g//r2// 8d) i s2p2 6g p i s2p2 9d -83.51093( 6g//r2// 9d) i s2p2 6g p i s2p2 5g 752.75416( 6g//r2// 5g) i s2p2 6g p i s2p2 6g -3329.86763( 6g//r2// 6g) i s2p2 6g 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0.00000( //r2// ) i s2p2 7g p i s2p2 3d 53.57143( 7g//r2// 3d) i s2p2 7g p i s2p2 4d -15.07911( 7g//r2// 4d) i s2p2 7g p i s2p2 5d -386.48616( 7g//r2// 5d) i s2p2 7g p i s2p2 6d -2202.37628( 7g//r2// 6d) i s2p2 7g p i s2p2 7d 7167.21058( 7g//r2// 7d) i s2p2 7g p i s2p2 8d -3981.66115( 7g//r2// 8d) i s2p2 7g p i s2p2 9d -440.02411( 7g//r2// 9d) i s2p2 7g p i s2p2 5g 162.90899( 7g//r2// 5g) i s2p2 7g p i s2p2 6g 1811.45559( 7g//r2// 6g) i s2p2 7g p i s2p2 7g -6966.93646( 7g//r2// 7g) i s2p2 7g p i s2p2 8g 3521.12263( 7g//r2// 8g) i s2p2 7g p i s2p2 9g 801.00468( 7g//r2// 9g) i s2p2 7g p i s2p2 7i 4376.65368( 7g//r2// 7i) i s2p2 7g p i s2p2 8i -9585.87441( 7g//r2// 8i) i s2p2 7g p i s2p2 9i 431.81746( 7g//r2// 9i) i s2p2 7g p i sp4 0.00000( //r2// ) i s2p2 7g p i sp3 4p 0.00000( //r2// ) i s2p2 7g p i sp3 5p 0.00000( //r2// ) i s2p2 7g p i sp3 6p 0.00000( //r2// ) i s2p2 7g p i sp3 7p 0.00000( //r2// ) i s2p2 7g p i sp3 8p 0.00000( //r2// ) i s2p2 7g p i sp3 9p 0.00000( //r2// ) i s2p2 7g p i sp3 4f 0.00000( //r2// ) i s2p2 7g p i sp3 5f 0.00000( //r2// ) i s2p2 7g p i sp3 6f 0.00000( //r2// ) i s2p2 7g p i sp3 7f 0.00000( //r2// ) i s2p2 7g p i sp3 8f 0.00000( //r2// ) i s2p2 7g p i sp3 9f 0.00000( //r2// ) i s2p2 8g p i s2p2 4s 0.00000( //r2// ) i s2p2 8g p i s2p2 5s 0.00000( //r2// ) i s2p2 8g p i s2p2 6s 0.00000( //r2// ) i s2p2 8g p i s2p2 7s 0.00000( //r2// ) i s2p2 8g p i s2p2 8s 0.00000( //r2// ) i s2p2 8g p i s2p2 9s 0.00000( //r2// ) i s2p2 8g p i s2p2 3d 40.36601( 8g//r2// 3d) i s2p2 8g p i s2p2 4d 3.62363( 8g//r2// 4d) i s2p2 8g p i s2p2 5d -171.89950( 8g//r2// 5d) i s2p2 8g p i s2p2 6d -763.11680( 8g//r2// 6d) i s2p2 8g p i s2p2 7d -3313.14335( 8g//r2// 7d) i s2p2 8g p i s2p2 8d 12964.83442( 8g//r2// 8d) i s2p2 8g p i s2p2 9d -7663.50710( 8g//r2// 9d) i s2p2 8g p i s2p2 5g 71.34550( 8g//r2// 5g) i s2p2 8g p i s2p2 6g 407.38710( 8g//r2// 6g) i s2p2 8g p i s2p2 7g 3521.12263( 8g//r2// 7g) i s2p2 8g p i s2p2 8g -12768.77908( 8g//r2// 8g) i s2p2 8g p i s2p2 9g 6115.39219( 8g//r2// 9g) i s2p2 8g p i s2p2 7i -637.68868( 8g//r2// 7i) i s2p2 8g p i s2p2 8i 10694.61847( 8g//r2// 8i) i s2p2 8g p i s2p2 9i -16107.39021( 8g//r2// 9i) i s2p2 8g p i sp4 0.00000( //r2// ) i s2p2 8g p i sp3 4p 0.00000( //r2// ) i s2p2 8g p i sp3 5p 0.00000( //r2// ) i s2p2 8g p i sp3 6p 0.00000( //r2// ) i s2p2 8g p i sp3 7p 0.00000( //r2// ) i s2p2 8g p i sp3 8p 0.00000( //r2// ) i s2p2 8g p i sp3 9p 0.00000( //r2// ) i s2p2 8g p i sp3 4f 0.00000( //r2// ) i s2p2 8g p i sp3 5f 0.00000( //r2// ) i s2p2 8g p i sp3 6f 0.00000( //r2// ) i s2p2 8g p i sp3 7f 0.00000( //r2// ) i s2p2 8g p i sp3 8f 0.00000( //r2// ) i s2p2 8g p i sp3 9f 0.00000( //r2// ) i s2p2 9g p i s2p2 4s 0.00000( //r2// ) i s2p2 9g p i s2p2 5s 0.00000( //r2// ) i s2p2 9g p i s2p2 6s 0.00000( //r2// ) i s2p2 9g p i s2p2 7s 0.00000( //r2// ) i s2p2 9g p i s2p2 8s 0.00000( //r2// ) i s2p2 9g p i s2p2 9s 0.00000( //r2// ) i s2p2 9g p i s2p2 3d 31.97217( 9g//r2// 3d) i s2p2 9g p i s2p2 4d 8.81922( 9g//r2// 4d) i s2p2 9g p i s2p2 5d -95.62426( 9g//r2// 5d) i s2p2 9g p i s2p2 6d -384.64558( 9g//r2// 6d) i s2p2 9g p i s2p2 7d -1252.51855( 9g//r2// 7d) i s2p2 9g p i s2p2 8d -4749.40852( 9g//r2// 8d) i s2p2 9g p i s2p2 9d 21485.23213( 9g//r2// 9d) i s2p2 9g p i s2p2 5g 41.35971( 9g//r2// 5g) i s2p2 9g p i s2p2 6g 180.43981( 9g//r2// 6g) i s2p2 9g p i s2p2 7g 801.00468( 9g//r2// 7g) i s2p2 9g p i s2p2 8g 6115.39219( 9g//r2// 8g) i s2p2 9g p i s2p2 9g -21423.40243( 9g//r2// 9g) i s2p2 9g p i s2p2 7i -140.56258( 9g//r2// 7i) i s2p2 9g p i s2p2 8i -1762.42821( 9g//r2// 8i) i s2p2 9g p i s2p2 9i 20561.83182( 9g//r2// 9i) i s2p2 9g p i sp4 0.00000( //r2// ) i s2p2 9g p i sp3 4p 0.00000( //r2// ) i s2p2 9g p i sp3 5p 0.00000( //r2// ) i s2p2 9g p i sp3 6p 0.00000( //r2// ) i s2p2 9g p i sp3 7p 0.00000( //r2// ) i s2p2 9g p i sp3 8p 0.00000( //r2// ) i s2p2 9g p i sp3 9p 0.00000( //r2// ) i s2p2 9g p i sp3 4f 0.00000( //r2// ) i s2p2 9g p i sp3 5f 0.00000( //r2// ) i s2p2 9g p i sp3 6f 0.00000( //r2// ) i s2p2 9g p i sp3 7f 0.00000( //r2// ) i s2p2 9g p i sp3 8f 0.00000( //r2// ) i s2p2 9g p i sp3 9f 0.00000( //r2// ) i s2p2 7i p i s2p2 4s 0.00000( //r2// ) i s2p2 7i p i s2p2 5s 0.00000( //r2// ) i s2p2 7i p i s2p2 6s 0.00000( //r2// ) i s2p2 7i p i s2p2 7s 0.00000( //r2// ) i s2p2 7i p i s2p2 8s 0.00000( //r2// ) i s2p2 7i p i s2p2 9s 0.00000( //r2// ) i s2p2 7i p i s2p2 3d 0.00000( //r2// ) i s2p2 7i p i s2p2 4d 0.00000( //r2// ) i s2p2 7i p i s2p2 5d 0.00000( //r2// ) i s2p2 7i p i s2p2 6d 0.00000( //r2// ) i s2p2 7i p i s2p2 7d 0.00000( //r2// ) i s2p2 7i p i s2p2 8d 0.00000( //r2// ) i s2p2 7i p i s2p2 9d 0.00000( //r2// ) i s2p2 7i p i s2p2 5g 1586.13299( 7i//r2// 5g) i s2p2 7i p i s2p2 6g -4793.88442( 7i//r2// 6g) i s2p2 7i p i s2p2 7g 4376.65368( 7i//r2// 7g) i s2p2 7i p i s2p2 8g -637.68868( 7i//r2// 8g) i s2p2 7i p i s2p2 9g -140.56258( 7i//r2// 9g) i s2p2 7i p i s2p2 7i -5348.12157( 7i//r2// 7i) i s2p2 7i p i s2p2 8i 2746.35712( 7i//r2// 8i) i s2p2 7i p i s2p2 9i 509.56766( 7i//r2// 9i) i s2p2 7i p i sp4 0.00000( //r2// ) i s2p2 7i p i sp3 4p 0.00000( //r2// ) i s2p2 7i p i sp3 5p 0.00000( //r2// ) i s2p2 7i p i sp3 6p 0.00000( //r2// ) i s2p2 7i p i sp3 7p 0.00000( //r2// ) i s2p2 7i p i sp3 8p 0.00000( //r2// ) i s2p2 7i p i sp3 9p 0.00000( //r2// ) i s2p2 7i p i sp3 4f 0.00000( //r2// ) i s2p2 7i p i sp3 5f 0.00000( //r2// ) i s2p2 7i p i sp3 6f 0.00000( //r2// ) i s2p2 7i p i sp3 7f 0.00000( //r2// ) i s2p2 7i p i sp3 8f 0.00000( //r2// ) i s2p2 7i p i sp3 9f 0.00000( //r2// ) i s2p2 8i p i s2p2 4s 0.00000( //r2// ) i s2p2 8i p i s2p2 5s 0.00000( //r2// ) i s2p2 8i p i s2p2 6s 0.00000( //r2// ) i s2p2 8i p i s2p2 7s 0.00000( //r2// ) i s2p2 8i p i s2p2 8s 0.00000( //r2// ) i s2p2 8i p i s2p2 9s 0.00000( //r2// ) i s2p2 8i p i s2p2 3d 0.00000( //r2// ) i s2p2 8i p i s2p2 4d 0.00000( //r2// ) i s2p2 8i p i s2p2 5d 0.00000( //r2// ) i s2p2 8i p i s2p2 6d 0.00000( //r2// ) i s2p2 8i p i s2p2 7d 0.00000( //r2// ) i s2p2 8i p i s2p2 8d 0.00000( //r2// ) i s2p2 8i p i s2p2 9d 0.00000( //r2// ) i s2p2 8i p i s2p2 5g 799.83789( 8i//r2// 5g) i s2p2 8i p i s2p2 6g 1138.99626( 8i//r2// 6g) i s2p2 8i p i s2p2 7g -9585.87441( 8i//r2// 7g) i s2p2 8i p i s2p2 8g 10694.61847( 8i//r2// 8g) i s2p2 8i p i s2p2 9g -1762.42821( 8i//r2// 9g) i s2p2 8i p i s2p2 7i 2746.35712( 8i//r2// 7i) i s2p2 8i p i s2p2 8i -11351.12702( 8i//r2// 8i) i s2p2 8i p i s2p2 9i 5746.79038( 8i//r2// 9i) i s2p2 8i p i sp4 0.00000( //r2// ) i s2p2 8i p i sp3 4p 0.00000( //r2// ) i s2p2 8i p i sp3 5p 0.00000( //r2// ) i s2p2 8i p i sp3 6p 0.00000( //r2// ) i s2p2 8i p i sp3 7p 0.00000( //r2// ) i s2p2 8i p i sp3 8p 0.00000( //r2// ) i s2p2 8i p i sp3 9p 0.00000( //r2// ) i s2p2 8i p i sp3 4f 0.00000( //r2// ) i s2p2 8i p i sp3 5f 0.00000( //r2// ) i s2p2 8i p i sp3 6f 0.00000( //r2// ) i s2p2 8i p i sp3 7f 0.00000( //r2// ) i s2p2 8i p i sp3 8f 0.00000( //r2// ) i s2p2 8i p i sp3 9f 0.00000( //r2// ) i s2p2 9i p i s2p2 4s 0.00000( //r2// ) i s2p2 9i p i s2p2 5s 0.00000( //r2// ) i s2p2 9i p i s2p2 6s 0.00000( //r2// ) i s2p2 9i p i s2p2 7s 0.00000( //r2// ) i s2p2 9i p i s2p2 8s 0.00000( //r2// ) i s2p2 9i p i s2p2 9s 0.00000( //r2// ) i s2p2 9i p i s2p2 3d 0.00000( //r2// ) i s2p2 9i p i s2p2 4d 0.00000( //r2// ) i s2p2 9i p i s2p2 5d 0.00000( //r2// ) i s2p2 9i p i s2p2 6d 0.00000( //r2// ) i s2p2 9i p i s2p2 7d 0.00000( //r2// ) i s2p2 9i p i s2p2 8d 0.00000( //r2// ) i s2p2 9i p i s2p2 9d 0.00000( //r2// ) i s2p2 9i p i s2p2 5g 490.60683( 9i//r2// 5g) i s2p2 9i p i s2p2 6g 891.74493( 9i//r2// 6g) i s2p2 9i p i s2p2 7g 431.81746( 9i//r2// 7g) i s2p2 9i p i s2p2 8g -16107.39021( 9i//r2// 8g) i s2p2 9i p i s2p2 9g 20561.83182( 9i//r2// 9g) i s2p2 9i p i s2p2 7i 509.56766( 9i//r2// 7i) i s2p2 9i p i s2p2 8i 5746.79038( 9i//r2// 8i) i s2p2 9i p i s2p2 9i -20628.42479( 9i//r2// 9i) i s2p2 9i p i sp4 0.00000( //r2// ) i s2p2 9i p i sp3 4p 0.00000( //r2// ) i s2p2 9i p i sp3 5p 0.00000( //r2// ) i s2p2 9i p i sp3 6p 0.00000( //r2// ) i s2p2 9i p i sp3 7p 0.00000( //r2// ) i s2p2 9i p i sp3 8p 0.00000( //r2// ) i s2p2 9i p i sp3 9p 0.00000( //r2// ) i s2p2 9i p i sp3 4f 0.00000( //r2// ) i s2p2 9i p i sp3 5f 0.00000( //r2// ) i s2p2 9i p i sp3 6f 0.00000( //r2// ) i s2p2 9i p i sp3 7f 0.00000( //r2// ) i s2p2 9i p i sp3 8f 0.00000( //r2// ) i s2p2 9i p i sp3 9f 0.00000( //r2// ) i sp4 p i s2p2 4s 0.00000( //r2// ) i sp4 p i s2p2 5s 0.00000( //r2// ) i sp4 p i s2p2 6s 0.00000( //r2// ) i sp4 p i s2p2 7s 0.00000( //r2// ) i sp4 p i s2p2 8s 0.00000( //r2// ) i sp4 p i s2p2 9s 0.00000( //r2// ) i sp4 p i s2p2 3d 0.00000( //r2// ) i sp4 p i s2p2 4d 0.00000( //r2// ) i sp4 p i s2p2 5d 0.00000( //r2// ) i sp4 p i s2p2 6d 0.00000( //r2// ) i sp4 p i s2p2 7d 0.00000( //r2// ) i sp4 p i s2p2 8d 0.00000( //r2// ) i sp4 p i s2p2 9d 0.00000( //r2// ) i sp4 p i s2p2 5g 0.00000( //r2// ) i sp4 p i s2p2 6g 0.00000( //r2// ) i sp4 p i s2p2 7g 0.00000( //r2// ) i sp4 p i s2p2 8g 0.00000( //r2// ) i sp4 p i s2p2 9g 0.00000( //r2// ) i sp4 p i s2p2 7i 0.00000( //r2// ) i sp4 p i s2p2 8i 0.00000( //r2// ) i sp4 p i s2p2 9i 0.00000( //r2// ) i sp4 p i sp4 -7.19807( 3p//r2// 3p) i sp4 p i sp3 4p 4.78409( 3p//r2// 4p) i sp4 p i sp3 5p 2.14427( 3p//r2// 5p) i sp4 p i sp3 6p 1.31831( 3p//r2// 6p) i sp4 p i sp3 7p 0.92322( 3p//r2// 7p) i sp4 p i sp3 8p 0.69536( 3p//r2// 8p) i sp4 p i sp3 9p 0.54901( 3p//r2// 9p) i sp4 p i sp3 4f -1.73338( 3p//r2// 4f) i sp4 p i sp3 5f -1.45312( 3p//r2// 5f) i sp4 p i sp3 6f -1.17820( 3p//r2// 6f) i sp4 p i sp3 7f -0.96775( 3p//r2// 7f) i sp4 p i sp3 8f -0.80943( 3p//r2// 8f) i sp4 p i sp3 9f -0.68857( 3p//r2// 9f) i sp3 4p p i s2p2 4s 0.00000( //r2// ) i sp3 4p p i s2p2 5s 0.00000( //r2// ) i sp3 4p p i s2p2 6s 0.00000( //r2// ) i sp3 4p p i s2p2 7s 0.00000( //r2// ) i sp3 4p p i s2p2 8s 0.00000( //r2// ) i sp3 4p p i s2p2 9s 0.00000( //r2// ) i sp3 4p p i s2p2 3d 0.00000( //r2// ) i sp3 4p p i s2p2 4d 0.00000( //r2// ) i sp3 4p p i s2p2 5d 0.00000( //r2// ) i sp3 4p p i s2p2 6d 0.00000( //r2// ) i sp3 4p p i s2p2 7d 0.00000( //r2// ) i sp3 4p p i s2p2 8d 0.00000( //r2// ) i sp3 4p p i s2p2 9d 0.00000( //r2// ) i sp3 4p p i s2p2 5g 0.00000( //r2// ) i sp3 4p p i s2p2 6g 0.00000( //r2// ) i sp3 4p p i s2p2 7g 0.00000( //r2// ) i sp3 4p p i s2p2 8g 0.00000( //r2// ) i sp3 4p p i s2p2 9g 0.00000( //r2// ) i sp3 4p p i s2p2 7i 0.00000( //r2// ) i sp3 4p p i s2p2 8i 0.00000( //r2// ) i sp3 4p p i s2p2 9i 0.00000( //r2// ) i sp3 4p p i sp4 4.78409( 4p//r2// 3p) i sp3 4p p i sp3 4p -92.36931( 4p//r2// 4p) i sp3 4p p i sp3 5p 63.03138( 4p//r2// 5p) i sp3 4p p i sp3 6p 19.37262( 4p//r2// 6p) i sp3 4p p i sp3 7p 10.36330( 4p//r2// 7p) i sp3 4p p i sp3 8p 6.80350( 4p//r2// 8p) i sp3 4p p i sp3 9p 4.95599( 4p//r2// 9p) i sp3 4p p i sp3 4f 124.10558( 4p//r2// 4f) i sp3 4p p i sp3 5f 48.14294( 4p//r2// 5f) i sp3 4p p i sp3 6f 26.71913( 4p//r2// 6f) i sp3 4p p i sp3 7f 17.59687( 4p//r2// 7f) i sp3 4p p i sp3 8f 12.76857( 4p//r2// 8f) i sp3 4p p i sp3 9f 9.85046( 4p//r2// 9f) i sp3 5p p i s2p2 4s 0.00000( //r2// ) i sp3 5p p i s2p2 5s 0.00000( //r2// ) i sp3 5p p i s2p2 6s 0.00000( //r2// ) i sp3 5p p i s2p2 7s 0.00000( //r2// ) i sp3 5p p i s2p2 8s 0.00000( //r2// ) i sp3 5p p i s2p2 9s 0.00000( //r2// ) i sp3 5p p i s2p2 3d 0.00000( //r2// ) i sp3 5p p i s2p2 4d 0.00000( //r2// ) i sp3 5p p i s2p2 5d 0.00000( //r2// ) i sp3 5p p i s2p2 6d 0.00000( //r2// ) i sp3 5p p i s2p2 7d 0.00000( //r2// ) i sp3 5p p i s2p2 8d 0.00000( //r2// ) i sp3 5p p i s2p2 9d 0.00000( //r2// ) i sp3 5p p i s2p2 5g 0.00000( //r2// ) i sp3 5p p i s2p2 6g 0.00000( //r2// ) i sp3 5p p i s2p2 7g 0.00000( //r2// ) i sp3 5p p i s2p2 8g 0.00000( //r2// ) i sp3 5p p i s2p2 9g 0.00000( //r2// ) i sp3 5p p i s2p2 7i 0.00000( //r2// ) i sp3 5p p i s2p2 8i 0.00000( //r2// ) i sp3 5p p i s2p2 9i 0.00000( //r2// ) i sp3 5p p i sp4 2.14427( 5p//r2// 3p) i sp3 5p p i sp3 4p 63.03138( 5p//r2// 4p) i sp3 5p p i sp3 5p -386.59744( 5p//r2// 5p) i sp3 5p p i sp3 6p 225.12380( 5p//r2// 6p) i sp3 5p p i sp3 7p 63.49661( 5p//r2// 7p) i sp3 5p p i sp3 8p 32.41959( 5p//r2// 8p) i sp3 5p p i sp3 9p 20.71430( 5p//r2// 9p) i sp3 5p p i sp3 4f -460.16871( 5p//r2// 4f) i sp3 5p p i sp3 5f 268.04542( 5p//r2// 5f) i sp3 5p p i sp3 6f 123.47899( 5p//r2// 6f) i sp3 5p p i sp3 7f 73.21958( 5p//r2// 7f) i sp3 5p p i sp3 8f 49.94279( 5p//r2// 8f) i sp3 5p p i sp3 9f 37.04575( 5p//r2// 9f) i sp3 6p p i s2p2 4s 0.00000( //r2// ) i sp3 6p p i s2p2 5s 0.00000( //r2// ) i sp3 6p p i s2p2 6s 0.00000( //r2// ) i sp3 6p p i s2p2 7s 0.00000( //r2// ) i sp3 6p p i s2p2 8s 0.00000( //r2// ) i sp3 6p p i s2p2 9s 0.00000( //r2// ) i sp3 6p p i s2p2 3d 0.00000( //r2// ) i sp3 6p p i s2p2 4d 0.00000( //r2// ) i sp3 6p p i s2p2 5d 0.00000( //r2// ) i sp3 6p p i s2p2 6d 0.00000( //r2// ) i sp3 6p p i s2p2 7d 0.00000( //r2// ) i sp3 6p p i s2p2 8d 0.00000( //r2// ) i sp3 6p p i s2p2 9d 0.00000( //r2// ) i sp3 6p p i s2p2 5g 0.00000( //r2// ) i sp3 6p p i s2p2 6g 0.00000( //r2// ) i sp3 6p p i s2p2 7g 0.00000( //r2// ) i sp3 6p p i s2p2 8g 0.00000( //r2// ) i sp3 6p p i s2p2 9g 0.00000( //r2// ) i sp3 6p p i s2p2 7i 0.00000( //r2// ) i sp3 6p p i s2p2 8i 0.00000( //r2// ) i sp3 6p p i s2p2 9i 0.00000( //r2// ) i sp3 6p p i sp4 1.31831( 6p//r2// 3p) i sp3 6p p i sp3 4p 19.37262( 6p//r2// 4p) i sp3 6p p i sp3 5p 225.12380( 6p//r2// 5p) i sp3 6p p i sp3 6p -1085.93638( 6p//r2// 6p) i sp3 6p p i sp3 7p 572.96693( 6p//r2// 7p) i sp3 6p p i sp3 8p 153.40479( 6p//r2// 8p) i sp3 6p p i sp3 9p 75.81894( 6p//r2// 9p) i sp3 6p p i sp3 4f 337.59487( 6p//r2// 4f) i sp3 6p p i sp3 5f -1385.61926( 6p//r2// 5f) i sp3 6p p i sp3 6f 482.23871( 6p//r2// 6f) i sp3 6p p i sp3 7f 236.49208( 6p//r2// 7f) i sp3 6p p i sp3 8f 143.82128( 6p//r2// 8f) i sp3 6p p i sp3 9f 99.42139( 6p//r2// 9f) i sp3 7p p i s2p2 4s 0.00000( //r2// ) i sp3 7p p i s2p2 5s 0.00000( //r2// ) i sp3 7p p i s2p2 6s 0.00000( //r2// ) i sp3 7p p i s2p2 7s 0.00000( //r2// ) i sp3 7p p i s2p2 8s 0.00000( //r2// ) i sp3 7p p i s2p2 9s 0.00000( //r2// ) i sp3 7p p i s2p2 3d 0.00000( //r2// ) i sp3 7p p i s2p2 4d 0.00000( //r2// ) i sp3 7p p i s2p2 5d 0.00000( //r2// ) i sp3 7p p i s2p2 6d 0.00000( //r2// ) i sp3 7p p i s2p2 7d 0.00000( //r2// ) i sp3 7p p i s2p2 8d 0.00000( //r2// ) i sp3 7p p i s2p2 9d 0.00000( //r2// ) i sp3 7p p i s2p2 5g 0.00000( //r2// ) i sp3 7p p i s2p2 6g 0.00000( //r2// ) i sp3 7p p i s2p2 7g 0.00000( //r2// ) i sp3 7p p i s2p2 8g 0.00000( //r2// ) i sp3 7p p i s2p2 9g 0.00000( //r2// ) i sp3 7p p i s2p2 7i 0.00000( //r2// ) i sp3 7p p i s2p2 8i 0.00000( //r2// ) i sp3 7p p i s2p2 9i 0.00000( //r2// ) i sp3 7p p i sp4 0.92322( 7p//r2// 3p) i sp3 7p p i sp3 4p 10.36330( 7p//r2// 4p) i sp3 7p p i sp3 5p 63.49661( 7p//r2// 5p) i sp3 7p p i sp3 6p 572.96693( 7p//r2// 6p) i sp3 7p p i sp3 7p -2452.55800( 7p//r2// 7p) i sp3 7p p i sp3 8p 1210.63043( 7p//r2// 8p) i sp3 7p p i sp3 9p 312.26787( 7p//r2// 9p) i sp3 7p p i sp3 4f 26.81776( 7p//r2// 4f) i sp3 7p p i sp3 5f 1078.20983( 7p//r2// 5f) i sp3 7p p i sp3 6f -3129.43108( 7p//r2// 6f) i sp3 7p p i sp3 7f 784.37017( 7p//r2// 7f) i sp3 7p p i sp3 8f 396.61140( 7p//r2// 8f) i sp3 7p p i sp3 9f 243.72123( 7p//r2// 9f) i sp3 8p p i s2p2 4s 0.00000( //r2// ) i sp3 8p p i s2p2 5s 0.00000( //r2// ) i sp3 8p p i s2p2 6s 0.00000( //r2// ) i sp3 8p p i s2p2 7s 0.00000( //r2// ) i sp3 8p p i s2p2 8s 0.00000( //r2// ) i sp3 8p p i s2p2 9s 0.00000( //r2// ) i sp3 8p p i s2p2 3d 0.00000( //r2// ) i sp3 8p p i s2p2 4d 0.00000( //r2// ) i sp3 8p p i s2p2 5d 0.00000( //r2// ) i sp3 8p p i s2p2 6d 0.00000( //r2// ) i sp3 8p p i s2p2 7d 0.00000( //r2// ) i sp3 8p p i s2p2 8d 0.00000( //r2// ) i sp3 8p p i s2p2 9d 0.00000( //r2// ) i sp3 8p p i s2p2 5g 0.00000( //r2// ) i sp3 8p p i s2p2 6g 0.00000( //r2// ) i sp3 8p p i s2p2 7g 0.00000( //r2// ) i sp3 8p p i s2p2 8g 0.00000( //r2// ) i sp3 8p p i s2p2 9g 0.00000( //r2// ) i sp3 8p p i s2p2 7i 0.00000( //r2// ) i sp3 8p p i s2p2 8i 0.00000( //r2// ) i sp3 8p p i s2p2 9i 0.00000( //r2// ) i sp3 8p p i sp4 0.69536( 8p//r2// 3p) i sp3 8p p i sp3 4p 6.80350( 8p//r2// 4p) i sp3 8p p i sp3 5p 32.41959( 8p//r2// 5p) i sp3 8p p i sp3 6p 153.40479( 8p//r2// 6p) i sp3 8p p i sp3 7p 1210.63043( 8p//r2// 7p) i sp3 8p p i sp3 8p -4814.15424( 8p//r2// 8p) i sp3 8p p i sp3 9p 2265.24973( 8p//r2// 9p) i sp3 8p p i sp3 4f 10.48454( 8p//r2// 4f) i sp3 8p p i sp3 5f 72.80531( 8p//r2// 5f) i sp3 8p p i sp3 6f 2529.09743( 8p//r2// 6f) i sp3 8p p i sp3 7f -6056.35309( 8p//r2// 7f) i sp3 8p p i sp3 8f 1192.72210( 8p//r2// 8f) i sp3 8p p i sp3 9f 614.04917( 8p//r2// 9f) i sp3 9p p i s2p2 4s 0.00000( //r2// ) i sp3 9p p i s2p2 5s 0.00000( //r2// ) i sp3 9p p i s2p2 6s 0.00000( //r2// ) i sp3 9p p i s2p2 7s 0.00000( //r2// ) i sp3 9p p i s2p2 8s 0.00000( //r2// ) i sp3 9p p i s2p2 9s 0.00000( //r2// ) i sp3 9p p i s2p2 3d 0.00000( //r2// ) i sp3 9p p i s2p2 4d 0.00000( //r2// ) i sp3 9p p i s2p2 5d 0.00000( //r2// ) i sp3 9p p i s2p2 6d 0.00000( //r2// ) i sp3 9p p i s2p2 7d 0.00000( //r2// ) i sp3 9p p i s2p2 8d 0.00000( //r2// ) i sp3 9p p i s2p2 9d 0.00000( //r2// ) i sp3 9p p i s2p2 5g 0.00000( //r2// ) i sp3 9p p i s2p2 6g 0.00000( //r2// ) i sp3 9p p i s2p2 7g 0.00000( //r2// ) i sp3 9p p i s2p2 8g 0.00000( //r2// ) i sp3 9p p i s2p2 9g 0.00000( //r2// ) i sp3 9p p i s2p2 7i 0.00000( //r2// ) i sp3 9p p i s2p2 8i 0.00000( //r2// ) i sp3 9p p i s2p2 9i 0.00000( //r2// ) i sp3 9p p i sp4 0.54901( 9p//r2// 3p) i sp3 9p p i sp3 4p 4.95599( 9p//r2// 4p) i sp3 9p p i sp3 5p 20.71430( 9p//r2// 5p) i sp3 9p p i sp3 6p 75.81894( 9p//r2// 6p) i sp3 9p p i sp3 7p 312.26787( 9p//r2// 7p) i sp3 9p p i sp3 8p 2265.24973( 9p//r2// 8p) i sp3 9p p i sp3 9p -8564.02523( 9p//r2// 9p) i sp3 9p p i sp3 4f 6.01145( 9p//r2// 4f) i sp3 9p p i sp3 5f 26.63258( 9p//r2// 5f) i sp3 9p p i sp3 6f 147.30006( 9p//r2// 6f) i sp3 9p p i sp3 7f 5028.38146( 9p//r2// 7f) i sp3 9p p i sp3 8f -10593.72532( 9p//r2// 8f) i sp3 9p p i sp3 9f 1726.47996( 9p//r2// 9f) i sp3 4f p i s2p2 4s 0.00000( //r2// ) i sp3 4f p i s2p2 5s 0.00000( //r2// ) i sp3 4f p i s2p2 6s 0.00000( //r2// ) i sp3 4f p i s2p2 7s 0.00000( //r2// ) i sp3 4f p i s2p2 8s 0.00000( //r2// ) i sp3 4f p i s2p2 9s 0.00000( //r2// ) i sp3 4f p i s2p2 3d 0.00000( //r2// ) i sp3 4f p i s2p2 4d 0.00000( //r2// ) i sp3 4f p i s2p2 5d 0.00000( //r2// ) i sp3 4f p i s2p2 6d 0.00000( //r2// ) i sp3 4f p i s2p2 7d 0.00000( //r2// ) i sp3 4f p i s2p2 8d 0.00000( //r2// ) i sp3 4f p i s2p2 9d 0.00000( //r2// ) i sp3 4f p i s2p2 5g 0.00000( //r2// ) i sp3 4f p i s2p2 6g 0.00000( //r2// ) i sp3 4f p i s2p2 7g 0.00000( //r2// ) i sp3 4f p i s2p2 8g 0.00000( //r2// ) i sp3 4f p i s2p2 9g 0.00000( //r2// ) i sp3 4f p i s2p2 7i 0.00000( //r2// ) i sp3 4f p i s2p2 8i 0.00000( //r2// ) i sp3 4f p i s2p2 9i 0.00000( //r2// ) i sp3 4f p i sp4 -1.73338( 4f//r2// 3p) i sp3 4f p i sp3 4p 124.10558( 4f//r2// 4p) i sp3 4f p i sp3 5p -460.16871( 4f//r2// 5p) i sp3 4f p i sp3 6p 337.59487( 4f//r2// 6p) i sp3 4f p i sp3 7p 26.81776( 4f//r2// 7p) i sp3 4f p i sp3 8p 10.48454( 4f//r2// 8p) i sp3 4f p i sp3 9p 6.01145( 4f//r2// 9p) i sp3 4f p i sp3 4f -490.18851( 4f//r2// 4f) i sp3 4f p i sp3 5f 322.98311( 4f//r2// 5f) i sp3 4f p i sp3 6f 76.60695( 4f//r2// 6f) i sp3 4f p i sp3 7f 35.56160( 4f//r2// 7f) i sp3 4f p i sp3 8f 21.43226( 4f//r2// 8f) i sp3 4f p i sp3 9f 14.77751( 4f//r2// 9f) i sp3 5f p i s2p2 4s 0.00000( //r2// ) i sp3 5f p i s2p2 5s 0.00000( //r2// ) i sp3 5f p i s2p2 6s 0.00000( //r2// ) i sp3 5f p i s2p2 7s 0.00000( //r2// ) i sp3 5f p i s2p2 8s 0.00000( //r2// ) i sp3 5f p i s2p2 9s 0.00000( //r2// ) i sp3 5f p i s2p2 3d 0.00000( //r2// ) i sp3 5f p i s2p2 4d 0.00000( //r2// ) i sp3 5f p i s2p2 5d 0.00000( //r2// ) i sp3 5f p i s2p2 6d 0.00000( //r2// ) i sp3 5f p i s2p2 7d 0.00000( //r2// ) i sp3 5f p i s2p2 8d 0.00000( //r2// ) i sp3 5f p i s2p2 9d 0.00000( //r2// ) i sp3 5f p i s2p2 5g 0.00000( //r2// ) i sp3 5f p i s2p2 6g 0.00000( //r2// ) i sp3 5f p i s2p2 7g 0.00000( //r2// ) i sp3 5f p i s2p2 8g 0.00000( //r2// ) i sp3 5f p i s2p2 9g 0.00000( //r2// ) i sp3 5f p i s2p2 7i 0.00000( //r2// ) i sp3 5f p i s2p2 8i 0.00000( //r2// ) i sp3 5f p i s2p2 9i 0.00000( //r2// ) i sp3 5f p i sp4 -1.45312( 5f//r2// 3p) i sp3 5f p i sp3 4p 48.14294( 5f//r2// 4p) i sp3 5f p i sp3 5p 268.04542( 5f//r2// 5p) i sp3 5f p i sp3 6p -1385.61926( 5f//r2// 6p) i sp3 5f p i sp3 7p 1078.20983( 5f//r2// 7p) i sp3 5f p i sp3 8p 72.80531( 5f//r2// 8p) i sp3 5f p i sp3 9p 26.63258( 5f//r2// 9p) i sp3 5f p i sp3 4f 322.98311( 5f//r2// 4f) i sp3 5f p i sp3 5f -1530.00658( 5f//r2// 5f) i sp3 5f p i sp3 6f 871.93963( 5f//r2// 6f) i sp3 5f p i sp3 7f 209.72319( 5f//r2// 7f) i sp3 5f p i sp3 8f 97.17021( 5f//r2// 8f) i sp3 5f p i sp3 9f 58.27793( 5f//r2// 9f) i sp3 6f p i s2p2 4s 0.00000( //r2// ) i sp3 6f p i s2p2 5s 0.00000( //r2// ) i sp3 6f p i s2p2 6s 0.00000( //r2// ) i sp3 6f p i s2p2 7s 0.00000( //r2// ) i sp3 6f p i s2p2 8s 0.00000( //r2// ) i sp3 6f p i s2p2 9s 0.00000( //r2// ) i sp3 6f p i s2p2 3d 0.00000( //r2// ) i sp3 6f p i s2p2 4d 0.00000( //r2// ) i sp3 6f p i s2p2 5d 0.00000( //r2// ) i sp3 6f p i s2p2 6d 0.00000( //r2// ) i sp3 6f p i s2p2 7d 0.00000( //r2// ) i sp3 6f p i s2p2 8d 0.00000( //r2// ) i sp3 6f p i s2p2 9d 0.00000( //r2// ) i sp3 6f p i s2p2 5g 0.00000( //r2// ) i sp3 6f p i s2p2 6g 0.00000( //r2// ) i sp3 6f p i s2p2 7g 0.00000( //r2// ) i sp3 6f p i s2p2 8g 0.00000( //r2// ) i sp3 6f p i s2p2 9g 0.00000( //r2// ) i sp3 6f p i s2p2 7i 0.00000( //r2// ) i sp3 6f p i s2p2 8i 0.00000( //r2// ) i sp3 6f p i s2p2 9i 0.00000( //r2// ) i sp3 6f p i sp4 -1.17820( 6f//r2// 3p) i sp3 6f p i sp3 4p 26.71913( 6f//r2// 4p) i sp3 6f p i sp3 5p 123.47899( 6f//r2// 5p) i sp3 6f p i sp3 6p 482.23871( 6f//r2// 6p) i sp3 6f p i sp3 7p -3129.43108( 6f//r2// 7p) i sp3 6f p i sp3 8p 2529.09743( 6f//r2// 8p) i sp3 6f p i sp3 9p 147.30006( 6f//r2// 9p) i sp3 6f p i sp3 4f 76.60695( 6f//r2// 4f) i sp3 6f p i sp3 5f 871.93963( 6f//r2// 5f) i sp3 6f p i sp3 6f -3548.31182( 6f//r2// 6f) i sp3 6f p i sp3 7f 1842.34936( 6f//r2// 7f) i sp3 6f p i sp3 8f 441.30765( 6f//r2// 8f) i sp3 6f p i sp3 9f 202.86940( 6f//r2// 9f) i sp3 7f p i s2p2 4s 0.00000( //r2// ) i sp3 7f p i s2p2 5s 0.00000( //r2// ) i sp3 7f p i s2p2 6s 0.00000( //r2// ) i sp3 7f p i s2p2 7s 0.00000( //r2// ) i sp3 7f p i s2p2 8s 0.00000( //r2// ) i sp3 7f p i s2p2 9s 0.00000( //r2// ) i sp3 7f p i s2p2 3d 0.00000( //r2// ) i sp3 7f p i s2p2 4d 0.00000( //r2// ) i sp3 7f p i s2p2 5d 0.00000( //r2// ) i sp3 7f p i s2p2 6d 0.00000( //r2// ) i sp3 7f p i s2p2 7d 0.00000( //r2// ) i sp3 7f p i s2p2 8d 0.00000( //r2// ) i sp3 7f p i s2p2 9d 0.00000( //r2// ) i sp3 7f p i s2p2 5g 0.00000( //r2// ) i sp3 7f p i s2p2 6g 0.00000( //r2// ) i sp3 7f p i s2p2 7g 0.00000( //r2// ) i sp3 7f p i s2p2 8g 0.00000( //r2// ) i sp3 7f p i s2p2 9g 0.00000( //r2// ) i sp3 7f p i s2p2 7i 0.00000( //r2// ) i sp3 7f p i s2p2 8i 0.00000( //r2// ) i sp3 7f p i s2p2 9i 0.00000( //r2// ) i sp3 7f p i sp4 -0.96775( 7f//r2// 3p) i sp3 7f p i sp3 4p 17.59687( 7f//r2// 4p) i sp3 7f p i sp3 5p 73.21958( 7f//r2// 5p) i sp3 7f p i sp3 6p 236.49208( 7f//r2// 6p) i sp3 7f p i sp3 7p 784.37017( 7f//r2// 7p) i sp3 7f p i sp3 8p -6056.35309( 7f//r2// 8p) i sp3 7f p i sp3 9p 5028.38146( 7f//r2// 9p) i sp3 7f p i sp3 4f 35.56160( 7f//r2// 4f) i sp3 7f p i sp3 5f 209.72319( 7f//r2// 5f) i sp3 7f p i sp3 6f 1842.34936( 7f//r2// 6f) i sp3 7f p i sp3 7f -6994.28024( 7f//r2// 7f) i sp3 7f p i sp3 8f 3409.11834( 7f//r2// 8f) i sp3 7f p i sp3 9f 809.21205( 7f//r2// 9f) i sp3 8f p i s2p2 4s 0.00000( //r2// ) i sp3 8f p i s2p2 5s 0.00000( //r2// ) i sp3 8f p i s2p2 6s 0.00000( //r2// ) i sp3 8f p i s2p2 7s 0.00000( //r2// ) i sp3 8f p i s2p2 8s 0.00000( //r2// ) i sp3 8f p i s2p2 9s 0.00000( //r2// ) i sp3 8f p i s2p2 3d 0.00000( //r2// ) i sp3 8f p i s2p2 4d 0.00000( //r2// ) i sp3 8f p i s2p2 5d 0.00000( //r2// ) i sp3 8f p i s2p2 6d 0.00000( //r2// ) i sp3 8f p i s2p2 7d 0.00000( //r2// ) i sp3 8f p i s2p2 8d 0.00000( //r2// ) i sp3 8f p i s2p2 9d 0.00000( //r2// ) i sp3 8f p i s2p2 5g 0.00000( //r2// ) i sp3 8f p i s2p2 6g 0.00000( //r2// ) i sp3 8f p i s2p2 7g 0.00000( //r2// ) i sp3 8f p i s2p2 8g 0.00000( //r2// ) i sp3 8f p i s2p2 9g 0.00000( //r2// ) i sp3 8f p i s2p2 7i 0.00000( //r2// ) i sp3 8f p i s2p2 8i 0.00000( //r2// ) i sp3 8f p i s2p2 9i 0.00000( //r2// ) i sp3 8f p i sp4 -0.80943( 8f//r2// 3p) i sp3 8f p i sp3 4p 12.76857( 8f//r2// 4p) i sp3 8f p i sp3 5p 49.94279( 8f//r2// 5p) i sp3 8f p i sp3 6p 143.82128( 8f//r2// 6p) i sp3 8f p i sp3 7p 396.61140( 8f//r2// 7p) i sp3 8f p i sp3 8p 1192.72210( 8f//r2// 8p) i sp3 8f p i sp3 9p -10593.72532( 8f//r2// 9p) i sp3 8f p i sp3 4f 21.43226( 8f//r2// 4f) i sp3 8f p i sp3 5f 97.17021( 8f//r2// 5f) i sp3 8f p i sp3 6f 441.30765( 8f//r2// 6f) i sp3 8f p i sp3 7f 3409.11834( 8f//r2// 7f) i sp3 8f p i sp3 8f -12398.89531( 8f//r2// 8f) i sp3 8f p i sp3 9f 5774.31342( 8f//r2// 9f) i sp3 9f p i s2p2 4s 0.00000( //r2// ) i sp3 9f p i s2p2 5s 0.00000( //r2// ) i sp3 9f p i s2p2 6s 0.00000( //r2// ) i sp3 9f p i s2p2 7s 0.00000( //r2// ) i sp3 9f p i s2p2 8s 0.00000( //r2// ) i sp3 9f p i s2p2 9s 0.00000( //r2// ) i sp3 9f p i s2p2 3d 0.00000( //r2// ) i sp3 9f p i s2p2 4d 0.00000( //r2// ) i sp3 9f p i s2p2 5d 0.00000( //r2// ) i sp3 9f p i s2p2 6d 0.00000( //r2// ) i sp3 9f p i s2p2 7d 0.00000( //r2// ) i sp3 9f p i s2p2 8d 0.00000( //r2// ) i sp3 9f p i s2p2 9d 0.00000( //r2// ) i sp3 9f p i s2p2 5g 0.00000( //r2// ) i sp3 9f p i s2p2 6g 0.00000( //r2// ) i sp3 9f p i s2p2 7g 0.00000( //r2// ) i sp3 9f p i s2p2 8g 0.00000( //r2// ) i sp3 9f p i s2p2 9g 0.00000( //r2// ) i sp3 9f p i s2p2 7i 0.00000( //r2// ) i sp3 9f p i s2p2 8i 0.00000( //r2// ) i sp3 9f p i s2p2 9i 0.00000( //r2// ) i sp3 9f p i sp4 -0.68857( 9f//r2// 3p) i sp3 9f p i sp3 4p 9.85046( 9f//r2// 4p) i sp3 9f p i sp3 5p 37.04575( 9f//r2// 5p) i sp3 9f p i sp3 6p 99.42139( 9f//r2// 6p) i sp3 9f p i sp3 7p 243.72123( 9f//r2// 7p) i sp3 9f p i sp3 8p 614.04917( 9f//r2// 8p) i sp3 9f p i sp3 9p 1726.47996( 9f//r2// 9p) i sp3 9f p i sp3 4f 14.77751( 9f//r2// 4f) i sp3 9f p i sp3 5f 58.27793( 9f//r2// 5f) i sp3 9f p i sp3 6f 202.86940( 9f//r2// 6f) i sp3 9f p i sp3 7f 809.21205( 9f//r2// 7f) i sp3 9f p i sp3 8f 5774.31342( 9f//r2// 8f) i sp3 9f p i sp3 9f -20375.20014( 9f//r2// 9f) i s2p3 p i s2p2 4s 1.32792( 3p//r1// 4s) i s2p3 p i s2p2 5s 0.45407( 3p//r1// 5s) i s2p3 p i s2p2 6s 0.25525( 3p//r1// 6s) i s2p3 p i s2p2 7s 0.17074( 3p//r1// 7s) i s2p3 p i s2p2 8s 0.12501( 3p//r1// 8s) i s2p3 p i s2p2 9s 0.09680( 3p//r1// 9s) i s2p3 p i s2p2 3d 2.11810( 3p//r1// 3d) i s2p3 p i s2p2 4d 1.38109( 3p//r1// 4d) i s2p3 p i s2p2 5d 0.89337( 3p//r1// 5d) i s2p3 p i s2p2 6d 0.61985( 3p//r1// 6d) i s2p3 p i s2p2 7d 0.45865( 3p//r1// 7d) i s2p3 p i s2p2 8d 0.35620( 3p//r1// 8d) i s2p3 p i s2p2 9d 0.28674( 3p//r1// 9d) i s2p3 p i s2p2 5g 0.00000( //r1// ) i s2p3 p i s2p2 6g 0.00000( //r1// ) i s2p3 p i s2p2 7g 0.00000( //r1// ) i s2p3 p i s2p2 8g 0.00000( //r1// ) i s2p3 p i s2p2 9g 0.00000( //r1// ) i s2p3 p i s2p2 7i 0.00000( //r1// ) i s2p3 p i s2p2 8i 0.00000( //r1// ) i s2p3 p i s2p2 9i 0.00000( //r1// ) i s2p3 p i sp4 2.01962( 3s//r1// 3p) i s2p3 p i sp3 4p 0.00624( 3s//r1// 4p) i s2p3 p i sp3 5p -0.00793( 3s//r1// 5p) i s2p3 p i sp3 6p -0.00819( 3s//r1// 6p) i s2p3 p i sp3 7p -0.00704( 3s//r1// 7p) i s2p3 p i sp3 8p -0.00590( 3s//r1// 8p) i s2p3 p i sp3 9p -0.00497( 3s//r1// 9p) i s2p3 p i sp3 4f 0.00000( //r1// ) i s2p3 p i sp3 5f 0.00000( //r1// ) i s2p3 p i sp3 6f 0.00000( //r1// ) i s2p3 p i sp3 7f 0.00000( //r1// ) i s2p3 p i sp3 8f 0.00000( //r1// ) i s2p3 p i sp3 9f 0.00000( //r1// ) i s2p2 4p p i s2p2 4s -6.75741( 4p//r1// 4s) i s2p2 4p p i s2p2 5s 6.20203( 4p//r1// 5s) i s2p2 4p p i s2p2 6s 1.34070( 4p//r1// 6s) i s2p2 4p p i s2p2 7s 0.68757( 4p//r1// 7s) i s2p2 4p p i s2p2 8s 0.44712( 4p//r1// 8s) i s2p2 4p p i s2p2 9s 0.32471( 4p//r1// 9s) i s2p2 4p p i s2p2 3d -11.98948( 4p//r1// 3d) i s2p2 4p p i s2p2 4d 4.27570( 4p//r1// 4d) i s2p2 4p p i s2p2 5d 2.64743( 4p//r1// 5d) i s2p2 4p p i s2p2 6d 1.76213( 4p//r1// 6d) i s2p2 4p p i s2p2 7d 1.27389( 4p//r1// 7d) i s2p2 4p p i s2p2 8d 0.97694( 4p//r1// 8d) i s2p2 4p p i s2p2 9d 0.78122( 4p//r1// 9d) i s2p2 4p p i s2p2 5g 0.00000( //r1// ) i s2p2 4p p i s2p2 6g 0.00000( //r1// ) i s2p2 4p p i s2p2 7g 0.00000( //r1// ) i s2p2 4p p i s2p2 8g 0.00000( //r1// ) i s2p2 4p p i s2p2 9g 0.00000( //r1// ) i s2p2 4p p i s2p2 7i 0.00000( //r1// ) i s2p2 4p p i s2p2 8i 0.00000( //r1// ) i s2p2 4p p i s2p2 9i 0.00000( //r1// ) i s2p2 4p p i sp4 0.00000( //r1// ) i s2p2 4p p i sp3 4p 0.00000( //r1// ) i s2p2 4p p i sp3 5p 0.00000( //r1// ) i s2p2 4p p i sp3 6p 0.00000( //r1// ) i s2p2 4p p i sp3 7p 0.00000( //r1// ) i s2p2 4p p i sp3 8p 0.00000( //r1// ) i s2p2 4p p i sp3 9p 0.00000( //r1// ) i s2p2 4p p i sp3 4f 0.00000( //r1// ) i s2p2 4p p i sp3 5f 0.00000( //r1// ) i s2p2 4p p i sp3 6f 0.00000( //r1// ) i s2p2 4p p i sp3 7f 0.00000( //r1// ) i s2p2 4p p i sp3 8f 0.00000( //r1// ) i s2p2 4p p i sp3 9f 0.00000( //r1// ) i s2p2 5p p i s2p2 4s -0.54389( 5p//r1// 4s) i s2p2 5p p i s2p2 5s -13.62654( 5p//r1// 5s) i s2p2 5p p i s2p2 6s 12.89882( 5p//r1// 6s) i s2p2 5p p i s2p2 7s 2.49150( 5p//r1// 7s) i s2p2 5p p i s2p2 8s 1.23308( 5p//r1// 8s) i s2p2 5p p i s2p2 9s 0.78938( 5p//r1// 9s) i s2p2 5p p i s2p2 3d 5.64128( 5p//r1// 3d) i s2p2 5p p i s2p2 4d -24.76577( 5p//r1// 4d) i s2p2 5p p i s2p2 5d 7.66487( 5p//r1// 5d) i s2p2 5p p i s2p2 6d 4.17196( 5p//r1// 6d) i s2p2 5p p i s2p2 7d 2.72231( 5p//r1// 7d) i s2p2 5p p i s2p2 8d 1.96997( 5p//r1// 8d) i s2p2 5p p i s2p2 9d 1.51950( 5p//r1// 9d) i s2p2 5p p i s2p2 5g 0.00000( //r1// ) i s2p2 5p p i s2p2 6g 0.00000( //r1// ) i s2p2 5p p i s2p2 7g 0.00000( //r1// ) i s2p2 5p p i s2p2 8g 0.00000( //r1// ) i s2p2 5p p i s2p2 9g 0.00000( //r1// ) i s2p2 5p p i s2p2 7i 0.00000( //r1// ) i s2p2 5p p i s2p2 8i 0.00000( //r1// ) i s2p2 5p p i s2p2 9i 0.00000( //r1// ) i s2p2 5p p i sp4 0.00000( //r1// ) i s2p2 5p p i sp3 4p 0.00000( //r1// ) i s2p2 5p p i sp3 5p 0.00000( //r1// ) i s2p2 5p p i sp3 6p 0.00000( //r1// ) i s2p2 5p p i sp3 7p 0.00000( //r1// ) i s2p2 5p p i sp3 8p 0.00000( //r1// ) i s2p2 5p p i sp3 9p 0.00000( //r1// ) i s2p2 5p p i sp3 4f 0.00000( //r1// ) i s2p2 5p p i sp3 5f 0.00000( //r1// ) i s2p2 5p p i sp3 6f 0.00000( //r1// ) i s2p2 5p p i sp3 7f 0.00000( //r1// ) i s2p2 5p p i sp3 8f 0.00000( //r1// ) i s2p2 5p p i sp3 9f 0.00000( //r1// ) i s2p2 6p p i s2p2 4s -0.18175( 6p//r1// 4s) i s2p2 6p p i s2p2 5s -1.36426( 6p//r1// 5s) i s2p2 6p p i s2p2 6s -22.73457( 6p//r1// 6s) i s2p2 6p p i s2p2 7s 21.65969( 6p//r1// 7s) i s2p2 6p p i s2p2 8s 3.94580( 6p//r1// 8s) i s2p2 6p p i s2p2 9s 1.90684( 6p//r1// 9s) i s2p2 6p p i s2p2 3d 1.41712( 6p//r1// 3d) i s2p2 6p p i s2p2 4d 9.12848( 6p//r1// 4d) i s2p2 6p p i s2p2 5d -41.90452( 6p//r1// 5d) i s2p2 6p p i s2p2 6d 11.79424( 6p//r1// 6d) i s2p2 6p p i s2p2 7d 5.92489( 6p//r1// 7d) i s2p2 6p p i s2p2 8d 3.79238( 6p//r1// 8d) i s2p2 6p p i s2p2 9d 2.73063( 6p//r1// 9d) i s2p2 6p p i s2p2 5g 0.00000( //r1// ) i s2p2 6p p i s2p2 6g 0.00000( //r1// ) i s2p2 6p p i s2p2 7g 0.00000( //r1// ) i s2p2 6p p i s2p2 8g 0.00000( //r1// ) i s2p2 6p p i s2p2 9g 0.00000( //r1// ) i s2p2 6p p i s2p2 7i 0.00000( //r1// ) i s2p2 6p p i s2p2 8i 0.00000( //r1// ) i s2p2 6p p i s2p2 9i 0.00000( //r1// ) i s2p2 6p p i sp4 0.00000( //r1// ) i s2p2 6p p i sp3 4p 0.00000( //r1// ) i s2p2 6p p i sp3 5p 0.00000( //r1// ) i s2p2 6p p i sp3 6p 0.00000( //r1// ) i s2p2 6p p i sp3 7p 0.00000( //r1// ) i s2p2 6p p i sp3 8p 0.00000( //r1// ) i s2p2 6p p i sp3 9p 0.00000( //r1// ) i s2p2 6p p i sp3 4f 0.00000( //r1// ) i s2p2 6p p i sp3 5f 0.00000( //r1// ) i s2p2 6p p i sp3 6f 0.00000( //r1// ) i s2p2 6p p i sp3 7f 0.00000( //r1// ) i s2p2 6p p i sp3 8f 0.00000( //r1// ) i s2p2 6p p i sp3 9f 0.00000( //r1// ) i s2p2 7p p i s2p2 4s -0.08747( 7p//r1// 4s) i s2p2 7p p i s2p2 5s -0.50886( 7p//r1// 5s) i s2p2 7p p i s2p2 6s -2.46739( 7p//r1// 6s) i s2p2 7p p i s2p2 7s -34.12090( 7p//r1// 7s) i s2p2 7p p i s2p2 8s 32.51973( 7p//r1// 8s) i s2p2 7p p i s2p2 9s 5.70835( 7p//r1// 9s) i s2p2 7p p i s2p2 3d 0.73629( 7p//r1// 3d) i s2p2 7p p i s2p2 4d 2.67330( 7p//r1// 4d) i s2p2 7p p i s2p2 5d 13.30292( 7p//r1// 5d) i s2p2 7p p i s2p2 6d -63.30081( 7p//r1// 6d) i s2p2 7p p i s2p2 7d 16.59627( 7p//r1// 7d) i s2p2 7p p i s2p2 8d 7.91916( 7p//r1// 8d) i s2p2 7p p i s2p2 9d 4.98687( 7p//r1// 9d) i s2p2 7p p i s2p2 5g 0.00000( //r1// ) i s2p2 7p p i s2p2 6g 0.00000( //r1// ) i s2p2 7p p i s2p2 7g 0.00000( //r1// ) i s2p2 7p p i s2p2 8g 0.00000( //r1// ) i s2p2 7p p i s2p2 9g 0.00000( //r1// ) i s2p2 7p p i s2p2 7i 0.00000( //r1// ) i s2p2 7p p i s2p2 8i 0.00000( //r1// ) i s2p2 7p p i s2p2 9i 0.00000( //r1// ) i s2p2 7p p i sp4 0.00000( //r1// ) i s2p2 7p p i sp3 4p 0.00000( //r1// ) i s2p2 7p p i sp3 5p 0.00000( //r1// ) i s2p2 7p p i sp3 6p 0.00000( //r1// ) i s2p2 7p p i sp3 7p 0.00000( //r1// ) i s2p2 7p p i sp3 8p 0.00000( //r1// ) i s2p2 7p p i sp3 9p 0.00000( //r1// ) i s2p2 7p p i sp3 4f 0.00000( //r1// ) i s2p2 7p p i sp3 5f 0.00000( //r1// ) i s2p2 7p p i sp3 6f 0.00000( //r1// ) i s2p2 7p p i sp3 7f 0.00000( //r1// ) i s2p2 7p p i sp3 8f 0.00000( //r1// ) i s2p2 7p p i sp3 9f 0.00000( //r1// ) i s2p2 8p p i s2p2 4s -0.04965( 8p//r1// 4s) i s2p2 8p p i s2p2 5s -0.27152( 8p//r1// 5s) i s2p2 8p p i s2p2 6s -0.95720( 8p//r1// 6s) i s2p2 8p p i s2p2 7s -3.83719( 8p//r1// 7s) i s2p2 8p p i s2p2 8s -47.79329( 8p//r1// 8s) i s2p2 8p p i s2p2 9s 45.49085( 8p//r1// 9s) i s2p2 8p p i s2p2 3d 0.48049( 8p//r1// 3d) i s2p2 8p p i s2p2 4d 1.43020( 8p//r1// 4d) i s2p2 8p p i s2p2 5d 4.15068( 8p//r1// 5d) i s2p2 8p p i s2p2 6d 18.59175( 8p//r1// 6d) i s2p2 8p p i s2p2 7d -88.93742( 8p//r1// 7d) i s2p2 8p p i s2p2 8d 22.06241( 8p//r1// 8d) i s2p2 8p p i s2p2 9d 10.15921( 8p//r1// 9d) i s2p2 8p p i s2p2 5g 0.00000( //r1// ) i s2p2 8p p i s2p2 6g 0.00000( //r1// ) i s2p2 8p p i s2p2 7g 0.00000( //r1// ) i s2p2 8p p i s2p2 8g 0.00000( //r1// ) i s2p2 8p p i s2p2 9g 0.00000( //r1// ) i s2p2 8p p i s2p2 7i 0.00000( //r1// ) i s2p2 8p p i s2p2 8i 0.00000( //r1// ) i s2p2 8p p i s2p2 9i 0.00000( //r1// ) i s2p2 8p p i sp4 0.00000( //r1// ) i s2p2 8p p i sp3 4p 0.00000( //r1// ) i s2p2 8p p i sp3 5p 0.00000( //r1// ) i s2p2 8p p i sp3 6p 0.00000( //r1// ) i s2p2 8p p i sp3 7p 0.00000( //r1// ) i s2p2 8p p i sp3 8p 0.00000( //r1// ) i s2p2 8p p i sp3 9p 0.00000( //r1// ) i s2p2 8p p i sp3 4f 0.00000( //r1// ) i s2p2 8p p i sp3 5f 0.00000( //r1// ) i s2p2 8p p i sp3 6f 0.00000( //r1// ) i s2p2 8p p i sp3 7f 0.00000( //r1// ) i s2p2 8p p i sp3 8f 0.00000( //r1// ) i s2p2 8p p i sp3 9f 0.00000( //r1// ) i s2p2 9p p i s2p2 4s -0.03089( 9p//r1// 4s) i s2p2 9p p i s2p2 5s -0.17116( 9p//r1// 5s) i s2p2 9p p i s2p2 6s -0.52679( 9p//r1// 6s) i s2p2 9p p i s2p2 7s -1.51434( 9p//r1// 7s) i s2p2 9p p i s2p2 8s -5.47179( 9p//r1// 8s) i s2p2 9p p i s2p2 9s -63.75515( 9p//r1// 9s) i s2p2 9p p i s2p2 3d 0.35006( 9p//r1// 3d) i s2p2 9p p i s2p2 4d 0.94376( 9p//r1// 4d) i s2p2 9p p i s2p2 5d 2.24567( 9p//r1// 5d) i s2p2 9p p i s2p2 6d 5.96121( 9p//r1// 6d) i s2p2 9p p i s2p2 7d 25.07492( 9p//r1// 7d) i s2p2 9p p i s2p2 8d -118.80957( 9p//r1// 8d) i s2p2 9p p i s2p2 9d 28.19241( 9p//r1// 9d) i s2p2 9p p i s2p2 5g 0.00000( //r1// ) i s2p2 9p p i s2p2 6g 0.00000( //r1// ) i s2p2 9p p i s2p2 7g 0.00000( //r1// ) i s2p2 9p p i s2p2 8g 0.00000( //r1// ) i s2p2 9p p i s2p2 9g 0.00000( //r1// ) i s2p2 9p p i s2p2 7i 0.00000( //r1// ) i s2p2 9p p i s2p2 8i 0.00000( //r1// ) i s2p2 9p p i s2p2 9i 0.00000( //r1// ) i s2p2 9p p i sp4 0.00000( //r1// ) i s2p2 9p p i sp3 4p 0.00000( //r1// ) i s2p2 9p p i sp3 5p 0.00000( //r1// ) i s2p2 9p p i sp3 6p 0.00000( //r1// ) i s2p2 9p p i sp3 7p 0.00000( //r1// ) i s2p2 9p p i sp3 8p 0.00000( //r1// ) i s2p2 9p p i sp3 9p 0.00000( //r1// ) i s2p2 9p p i sp3 4f 0.00000( //r1// ) i s2p2 9p p i sp3 5f 0.00000( //r1// ) i s2p2 9p p i sp3 6f 0.00000( //r1// ) i s2p2 9p p i sp3 7f 0.00000( //r1// ) i s2p2 9p p i sp3 8f 0.00000( //r1// ) i s2p2 9p p i sp3 9f 0.00000( //r1// ) i s2p2 4f p i s2p2 4s 0.00000( //r1// ) i s2p2 4f p i s2p2 5s 0.00000( //r1// ) i s2p2 4f p i s2p2 6s 0.00000( //r1// ) i s2p2 4f p i s2p2 7s 0.00000( //r1// ) i s2p2 4f p i s2p2 8s 0.00000( //r1// ) i s2p2 4f p i s2p2 9s 0.00000( //r1// ) i s2p2 4f p i s2p2 3d 13.98603( 4f//r1// 3d) i s2p2 4f p i s2p2 4d -28.54789( 4f//r1// 4d) i s2p2 4f p i s2p2 5d 10.40855( 4f//r1// 5d) i s2p2 4f p i s2p2 6d 2.69847( 4f//r1// 6d) i s2p2 4f p i s2p2 7d 1.36397( 4f//r1// 7d) i s2p2 4f p i s2p2 8d 0.86927( 4f//r1// 8d) i s2p2 4f p i s2p2 9d 0.62239( 4f//r1// 9d) i s2p2 4f p i s2p2 5g -35.36908( 4f//r1// 5g) i s2p2 4f p i s2p2 6g -10.51272( 4f//r1// 6g) i s2p2 4f p i s2p2 7g -5.41012( 4f//r1// 7g) i s2p2 4f p i s2p2 8g -3.46028( 4f//r1// 8g) i s2p2 4f p i s2p2 9g -2.47954( 4f//r1// 9g) i s2p2 4f p i s2p2 7i 0.00000( //r1// ) i s2p2 4f p i s2p2 8i 0.00000( //r1// ) i s2p2 4f p i s2p2 9i 0.00000( //r1// ) i s2p2 4f p i sp4 0.00000( //r1// ) i s2p2 4f p i sp3 4p 0.00000( //r1// ) i s2p2 4f p i sp3 5p 0.00000( //r1// ) i s2p2 4f p i sp3 6p 0.00000( //r1// ) i s2p2 4f p i sp3 7p 0.00000( //r1// ) i s2p2 4f p i sp3 8p 0.00000( //r1// ) i s2p2 4f p i sp3 9p 0.00000( //r1// ) i s2p2 4f p i sp3 4f 0.00000( //r1// ) i s2p2 4f p i sp3 5f 0.00000( //r1// ) i s2p2 4f p i sp3 6f 0.00000( //r1// ) i s2p2 4f p i sp3 7f 0.00000( //r1// ) i s2p2 4f p i sp3 8f 0.00000( //r1// ) i s2p2 4f p i sp3 9f 0.00000( //r1// ) i s2p2 5f p i s2p2 4s 0.00000( //r1// ) i s2p2 5f p i s2p2 5s 0.00000( //r1// ) i s2p2 5f p i s2p2 6s 0.00000( //r1// ) i s2p2 5f p i s2p2 7s 0.00000( //r1// ) i s2p2 5f p i s2p2 8s 0.00000( //r1// ) i s2p2 5f p i s2p2 9s 0.00000( //r1// ) i s2p2 5f p i s2p2 3d 5.59373( 5f//r1// 3d) i s2p2 5f p i s2p2 4d 12.22121( 5f//r1// 4d) i s2p2 5f p i s2p2 5d -51.93437( 5f//r1// 5d) i s2p2 5f p i s2p2 6d 23.01410( 5f//r1// 6d) i s2p2 5f p i s2p2 7d 5.55561( 5f//r1// 7d) i s2p2 5f p i s2p2 8d 2.76165( 5f//r1// 8d) i s2p2 5f p i s2p2 9d 1.74701( 5f//r1// 9d) i s2p2 5f p i s2p2 5g 45.06731( 5f//r1// 5g) i s2p2 5f p i s2p2 6g -44.84680( 5f//r1// 6g) i s2p2 5f p i s2p2 7g -15.64849( 5f//r1// 7g) i s2p2 5f p i s2p2 8g -8.54831( 5f//r1// 8g) i s2p2 5f p i s2p2 9g -5.63080( 5f//r1// 9g) i s2p2 5f p i s2p2 7i 0.00000( //r1// ) i s2p2 5f p i s2p2 8i 0.00000( //r1// ) i s2p2 5f p i s2p2 9i 0.00000( //r1// ) i s2p2 5f p i sp4 0.00000( //r1// ) i s2p2 5f p i sp3 4p 0.00000( //r1// ) i s2p2 5f p i sp3 5p 0.00000( //r1// ) i s2p2 5f p i sp3 6p 0.00000( //r1// ) i s2p2 5f p i sp3 7p 0.00000( //r1// ) i s2p2 5f p i sp3 8p 0.00000( //r1// ) i s2p2 5f p i sp3 9p 0.00000( //r1// ) i s2p2 5f p i sp3 4f 0.00000( //r1// ) i s2p2 5f p i sp3 5f 0.00000( //r1// ) i s2p2 5f p i sp3 6f 0.00000( //r1// ) i s2p2 5f p i sp3 7f 0.00000( //r1// ) i s2p2 5f p i sp3 8f 0.00000( //r1// ) i s2p2 5f p i sp3 9f 0.00000( //r1// ) i s2p2 6f p i s2p2 4s 0.00000( //r1// ) i s2p2 6f p i s2p2 5s 0.00000( //r1// ) i s2p2 6f p i s2p2 6s 0.00000( //r1// ) i s2p2 6f p i s2p2 7s 0.00000( //r1// ) i s2p2 6f p i s2p2 8s 0.00000( //r1// ) i s2p2 6f p i s2p2 9s 0.00000( //r1// ) i s2p2 6f p i s2p2 3d 3.29216( 6f//r1// 3d) i s2p2 6f p i s2p2 4d 6.36284( 6f//r1// 4d) i s2p2 6f p i s2p2 5d 9.86269( 6f//r1// 5d) i s2p2 6f p i s2p2 6d -78.26517( 6f//r1// 6d) i s2p2 6f p i s2p2 7d 39.09792( 6f//r1// 7d) i s2p2 6f p i s2p2 8d 9.02103( 6f//r1// 8d) i s2p2 6f p i s2p2 9d 4.43179( 6f//r1// 9d) i s2p2 6f p i s2p2 5g -4.18337( 6f//r1// 5g) i s2p2 6f p i s2p2 6g 80.64653( 6f//r1// 6g) i s2p2 6f p i s2p2 7g -55.61191( 6f//r1// 7g) i s2p2 6f p i s2p2 8g -20.52238( 6f//r1// 8g) i s2p2 6f p i s2p2 9g -11.50946( 6f//r1// 9g) i s2p2 6f p i s2p2 7i 0.00000( //r1// ) i s2p2 6f p i s2p2 8i 0.00000( //r1// ) i s2p2 6f p i s2p2 9i 0.00000( //r1// ) i s2p2 6f p i sp4 0.00000( //r1// ) i s2p2 6f p i sp3 4p 0.00000( //r1// ) i s2p2 6f p i sp3 5p 0.00000( //r1// ) i s2p2 6f p i sp3 6p 0.00000( //r1// ) i s2p2 6f p i sp3 7p 0.00000( //r1// ) i s2p2 6f p i sp3 8p 0.00000( //r1// ) i s2p2 6f p i sp3 9p 0.00000( //r1// ) i s2p2 6f p i sp3 4f 0.00000( //r1// ) i s2p2 6f p i sp3 5f 0.00000( //r1// ) i s2p2 6f p i sp3 6f 0.00000( //r1// ) i s2p2 6f p i sp3 7f 0.00000( //r1// ) i s2p2 6f p i sp3 8f 0.00000( //r1// ) i s2p2 6f p i sp3 9f 0.00000( //r1// ) i s2p2 7f p i s2p2 4s 0.00000( //r1// ) i s2p2 7f p i s2p2 5s 0.00000( //r1// ) i s2p2 7f p i s2p2 6s 0.00000( //r1// ) i s2p2 7f p i s2p2 7s 0.00000( //r1// ) i s2p2 7f p i s2p2 8s 0.00000( //r1// ) i s2p2 7f p i s2p2 9s 0.00000( //r1// ) i s2p2 7f p i s2p2 3d 2.27044( 7f//r1// 3d) i s2p2 7f p i s2p2 4d 4.12718( 7f//r1// 4d) i s2p2 7f p i s2p2 5d 6.03907( 7f//r1// 5d) i s2p2 7f p i s2p2 6d 7.55856( 7f//r1// 6d) i s2p2 7f p i s2p2 7d -108.30239( 7f//r1// 7d) i s2p2 7f p i s2p2 8d 58.60424( 7f//r1// 8d) i s2p2 7f p i s2p2 9d 13.09164( 7f//r1// 9d) i s2p2 7f p i s2p2 5g -1.32706( 7f//r1// 5g) i s2p2 7f p i s2p2 6g -8.88548( 7f//r1// 6g) i s2p2 7f p i s2p2 7g 120.87595( 7f//r1// 7g) i s2p2 7f p i s2p2 8g -67.62153( 7f//r1// 8g) i s2p2 7f p i s2p2 9g -25.55302( 7f//r1// 9g) i s2p2 7f p i s2p2 7i 0.00000( //r1// ) i s2p2 7f p i s2p2 8i 0.00000( //r1// ) i s2p2 7f p i s2p2 9i 0.00000( //r1// ) i s2p2 7f p i sp4 0.00000( //r1// ) i s2p2 7f p i sp3 4p 0.00000( //r1// ) i s2p2 7f p i sp3 5p 0.00000( //r1// ) i s2p2 7f p i sp3 6p 0.00000( //r1// ) i s2p2 7f p i sp3 7p 0.00000( //r1// ) i s2p2 7f p i sp3 8p 0.00000( //r1// ) i s2p2 7f p i sp3 9p 0.00000( //r1// ) i s2p2 7f p i sp3 4f 0.00000( //r1// ) i s2p2 7f p i sp3 5f 0.00000( //r1// ) i s2p2 7f p i sp3 6f 0.00000( //r1// ) i s2p2 7f p i sp3 7f 0.00000( //r1// ) i s2p2 7f p i sp3 8f 0.00000( //r1// ) i s2p2 7f p i sp3 9f 0.00000( //r1// ) i s2p2 8f p i s2p2 4s 0.00000( //r1// ) i s2p2 8f p i s2p2 5s 0.00000( //r1// ) i s2p2 8f p i s2p2 6s 0.00000( //r1// ) i s2p2 8f p i s2p2 7s 0.00000( //r1// ) i s2p2 8f p i s2p2 8s 0.00000( //r1// ) i s2p2 8f p i s2p2 9s 0.00000( //r1// ) i s2p2 8f p i s2p2 3d 1.70459( 8f//r1// 3d) i s2p2 8f p i s2p2 4d 2.99413( 8f//r1// 4d) i s2p2 8f p i s2p2 5d 4.17104( 8f//r1// 5d) i s2p2 8f p i s2p2 6d 5.46170( 8f//r1// 6d) i s2p2 8f p i s2p2 7d 5.22267( 8f//r1// 7d) i s2p2 8f p i s2p2 8d -142.32613( 8f//r1// 8d) i s2p2 8f p i s2p2 9d 81.50984( 8f//r1// 9d) i s2p2 8f p i s2p2 5g -0.69050( 8f//r1// 5g) i s2p2 8f p i s2p2 6g -2.89066( 8f//r1// 6g) i s2p2 8f p i s2p2 7g -14.91475( 8f//r1// 7g) i s2p2 8f p i s2p2 8g 166.61551( 8f//r1// 8g) i s2p2 8f p i s2p2 9g -80.85270( 8f//r1// 9g) i s2p2 8f p i s2p2 7i 0.00000( //r1// ) i s2p2 8f p i s2p2 8i 0.00000( //r1// ) i s2p2 8f p i s2p2 9i 0.00000( //r1// ) i s2p2 8f p i sp4 0.00000( //r1// ) i s2p2 8f p i sp3 4p 0.00000( //r1// ) i s2p2 8f p i sp3 5p 0.00000( //r1// ) i s2p2 8f p i sp3 6p 0.00000( //r1// ) i s2p2 8f p i sp3 7p 0.00000( //r1// ) i s2p2 8f p i sp3 8p 0.00000( //r1// ) i s2p2 8f p i sp3 9p 0.00000( //r1// ) i s2p2 8f p i sp3 4f 0.00000( //r1// ) i s2p2 8f p i sp3 5f 0.00000( //r1// ) i s2p2 8f p i sp3 6f 0.00000( //r1// ) i s2p2 8f p i sp3 7f 0.00000( //r1// ) i s2p2 8f p i sp3 8f 0.00000( //r1// ) i s2p2 8f p i sp3 9f 0.00000( //r1// ) i s2p2 9f p i s2p2 4s 0.00000( //r1// ) i s2p2 9f p i s2p2 5s 0.00000( //r1// ) i s2p2 9f p i s2p2 6s 0.00000( //r1// ) i s2p2 9f p i s2p2 7s 0.00000( //r1// ) i s2p2 9f p i s2p2 8s 0.00000( //r1// ) i s2p2 9f p i s2p2 9s 0.00000( //r1// ) i s2p2 9f p i s2p2 3d 1.34886( 9f//r1// 3d) i s2p2 9f p i s2p2 4d 2.31982( 9f//r1// 4d) i s2p2 9f p i s2p2 5d 3.13162( 9f//r1// 5d) i s2p2 9f p i s2p2 6d 3.98479( 9f//r1// 6d) i s2p2 9f p i s2p2 7d 4.78953( 9f//r1// 7d) i s2p2 9f p i s2p2 8d 2.72987( 9f//r1// 8d) i s2p2 9f p i s2p2 9d -180.45339( 9f//r1// 9d) i s2p2 9f p i s2p2 5g -0.44217( 9f//r1// 5g) i s2p2 9f p i s2p2 6g -1.51730( 9f//r1// 6g) i s2p2 9f p i s2p2 7g -4.92139( 9f//r1// 7g) i s2p2 9f p i s2p2 8g -22.31377( 9f//r1// 8g) i s2p2 9f p i s2p2 9g 218.12302( 9f//r1// 9g) i s2p2 9f p i s2p2 7i 0.00000( //r1// ) i s2p2 9f p i s2p2 8i 0.00000( //r1// ) i s2p2 9f p i s2p2 9i 0.00000( //r1// ) i s2p2 9f p i sp4 0.00000( //r1// ) i s2p2 9f p i sp3 4p 0.00000( //r1// ) i s2p2 9f p i sp3 5p 0.00000( //r1// ) i s2p2 9f p i sp3 6p 0.00000( //r1// ) i s2p2 9f p i sp3 7p 0.00000( //r1// ) i s2p2 9f p i sp3 8p 0.00000( //r1// ) i s2p2 9f p i sp3 9p 0.00000( //r1// ) i s2p2 9f p i sp3 4f 0.00000( //r1// ) i s2p2 9f p i sp3 5f 0.00000( //r1// ) i s2p2 9f p i sp3 6f 0.00000( //r1// ) i s2p2 9f p i sp3 7f 0.00000( //r1// ) i s2p2 9f p i sp3 8f 0.00000( //r1// ) i s2p2 9f p i sp3 9f 0.00000( //r1// ) i s2p2 6h p i s2p2 4s 0.00000( //r1// ) i s2p2 6h p i s2p2 5s 0.00000( //r1// ) i s2p2 6h p i s2p2 6s 0.00000( //r1// ) i s2p2 6h p i s2p2 7s 0.00000( //r1// ) i s2p2 6h p i s2p2 8s 0.00000( //r1// ) i s2p2 6h p i s2p2 9s 0.00000( //r1// ) i s2p2 6h p i s2p2 3d 0.00000( //r1// ) i s2p2 6h p i s2p2 4d 0.00000( //r1// ) i s2p2 6h p i s2p2 5d 0.00000( //r1// ) i s2p2 6h p i s2p2 6d 0.00000( //r1// ) i s2p2 6h p i s2p2 7d 0.00000( //r1// ) i s2p2 6h p i s2p2 8d 0.00000( //r1// ) i s2p2 6h p i s2p2 9d 0.00000( //r1// ) i s2p2 6h p i s2p2 5g 60.85220( 6h//r1// 5g) i s2p2 6h p i s2p2 6g -66.74733( 6h//r1// 6g) i s2p2 6h p i s2p2 7g 5.31185( 6h//r1// 7g) i s2p2 6h p i s2p2 8g 1.56530( 6h//r1// 8g) i s2p2 6h p i s2p2 9g 0.77185( 6h//r1// 9g) i s2p2 6h p i s2p2 7i -94.82048( 6h//r1// 7i) i s2p2 6h p i s2p2 8i -24.26616( 6h//r1// 8i) i s2p2 6h p i s2p2 9i -11.30764( 6h//r1// 9i) i s2p2 6h p i sp4 0.00000( //r1// ) i s2p2 6h p i sp3 4p 0.00000( //r1// ) i s2p2 6h p i sp3 5p 0.00000( //r1// ) i s2p2 6h p i sp3 6p 0.00000( //r1// ) i s2p2 6h p i sp3 7p 0.00000( //r1// ) i s2p2 6h p i sp3 8p 0.00000( //r1// ) i s2p2 6h p i sp3 9p 0.00000( //r1// ) i s2p2 6h p i sp3 4f 0.00000( //r1// ) i s2p2 6h p i sp3 5f 0.00000( //r1// ) i s2p2 6h p i sp3 6f 0.00000( //r1// ) i s2p2 6h p i sp3 7f 0.00000( //r1// ) i s2p2 6h p i sp3 8f 0.00000( //r1// ) i s2p2 6h p i sp3 9f 0.00000( //r1// ) i s2p2 7h p i s2p2 4s 0.00000( //r1// ) i s2p2 7h p i s2p2 5s 0.00000( //r1// ) i s2p2 7h p i s2p2 6s 0.00000( //r1// ) i s2p2 7h p i s2p2 7s 0.00000( //r1// ) i s2p2 7h p i s2p2 8s 0.00000( //r1// ) i s2p2 7h p i s2p2 9s 0.00000( //r1// ) i s2p2 7h p i s2p2 3d 0.00000( //r1// ) i s2p2 7h p i s2p2 4d 0.00000( //r1// ) i s2p2 7h p i s2p2 5d 0.00000( //r1// ) i s2p2 7h p i s2p2 6d 0.00000( //r1// ) i s2p2 7h p i s2p2 7d 0.00000( //r1// ) i s2p2 7h p i s2p2 8d 0.00000( //r1// ) i s2p2 7h p i s2p2 9d 0.00000( //r1// ) i s2p2 7h p i s2p2 5g 16.67547( 7h//r1// 5g) i s2p2 7h p i s2p2 6g 73.92967( 7h//r1// 6g) i s2p2 7h p i s2p2 7g -115.02516( 7h//r1// 7g) i s2p2 7h p i s2p2 8g 10.89365( 7h//r1// 8g) i s2p2 7h p i s2p2 9g 3.34517( 7h//r1// 9g) i s2p2 7h p i s2p2 7i 92.73342( 7h//r1// 7i) i s2p2 7h p i s2p2 8i -111.60985( 7h//r1// 8i) i s2p2 7h p i s2p2 9i -34.90631( 7h//r1// 9i) i s2p2 7h p i sp4 0.00000( //r1// ) i s2p2 7h p i sp3 4p 0.00000( //r1// ) i s2p2 7h p i sp3 5p 0.00000( //r1// ) i s2p2 7h p i sp3 6p 0.00000( //r1// ) i s2p2 7h p i sp3 7p 0.00000( //r1// ) i s2p2 7h p i sp3 8p 0.00000( //r1// ) i s2p2 7h p i sp3 9p 0.00000( //r1// ) i s2p2 7h p i sp3 4f 0.00000( //r1// ) i s2p2 7h p i sp3 5f 0.00000( //r1// ) i s2p2 7h p i sp3 6f 0.00000( //r1// ) i s2p2 7h p i sp3 7f 0.00000( //r1// ) i s2p2 7h p i sp3 8f 0.00000( //r1// ) i s2p2 7h p i sp3 9f 0.00000( //r1// ) i s2p2 8h p i s2p2 4s 0.00000( //r1// ) i s2p2 8h p i s2p2 5s 0.00000( //r1// ) i s2p2 8h p i s2p2 6s 0.00000( //r1// ) i s2p2 8h p i s2p2 7s 0.00000( //r1// ) i s2p2 8h p i s2p2 8s 0.00000( //r1// ) i s2p2 8h p i s2p2 9s 0.00000( //r1// ) i s2p2 8h p i s2p2 3d 0.00000( //r1// ) i s2p2 8h p i s2p2 4d 0.00000( //r1// ) i s2p2 8h p i s2p2 5d 0.00000( //r1// ) i s2p2 8h p i s2p2 6d 0.00000( //r1// ) i s2p2 8h p i s2p2 7d 0.00000( //r1// ) i s2p2 8h p i s2p2 8d 0.00000( //r1// ) i s2p2 8h p i s2p2 9d 0.00000( //r1// ) i s2p2 8h p i s2p2 5g 8.14691( 8h//r1// 5g) i s2p2 8h p i s2p2 6g 24.29806( 8h//r1// 6g) i s2p2 8h p i s2p2 7g 88.62951( 8h//r1// 7g) i s2p2 8h p i s2p2 8g -167.57731( 8h//r1// 8g) i s2p2 8h p i s2p2 9g 17.82758( 8h//r1// 9g) i s2p2 8h p i s2p2 7i -6.68575( 8h//r1// 7i) i s2p2 8h p i s2p2 8i 155.53803( 8h//r1// 8i) i s2p2 8h p i s2p2 9i -130.21728( 8h//r1// 9i) i s2p2 8h p i sp4 0.00000( //r1// ) i s2p2 8h p i sp3 4p 0.00000( //r1// ) i s2p2 8h p i sp3 5p 0.00000( //r1// ) i s2p2 8h p i sp3 6p 0.00000( //r1// ) i s2p2 8h p i sp3 7p 0.00000( //r1// ) i s2p2 8h p i sp3 8p 0.00000( //r1// ) i s2p2 8h p i sp3 9p 0.00000( //r1// ) i s2p2 8h p i sp3 4f 0.00000( //r1// ) i s2p2 8h p i sp3 5f 0.00000( //r1// ) i s2p2 8h p i sp3 6f 0.00000( //r1// ) i s2p2 8h p i sp3 7f 0.00000( //r1// ) i s2p2 8h p i sp3 8f 0.00000( //r1// ) i s2p2 8h p i sp3 9f 0.00000( //r1// ) i s2p2 9h p i s2p2 4s 0.00000( //r1// ) i s2p2 9h p i s2p2 5s 0.00000( //r1// ) i s2p2 9h p i s2p2 6s 0.00000( //r1// ) i s2p2 9h p i s2p2 7s 0.00000( //r1// ) i s2p2 9h p i s2p2 8s 0.00000( //r1// ) i s2p2 9h p i s2p2 9s 0.00000( //r1// ) i s2p2 9h p i s2p2 3d 0.00000( //r1// ) i s2p2 9h p i s2p2 4d 0.00000( //r1// ) i s2p2 9h p i s2p2 5d 0.00000( //r1// ) i s2p2 9h p i s2p2 6d 0.00000( //r1// ) i s2p2 9h p i s2p2 7d 0.00000( //r1// ) i s2p2 9h p i s2p2 8d 0.00000( //r1// ) i s2p2 9h p i s2p2 9d 0.00000( //r1// ) i s2p2 9h p i s2p2 5g 5.03118( 9h//r1// 5g) i s2p2 9h p i s2p2 6g 12.75956( 9h//r1// 6g) i s2p2 9h p i s2p2 7g 31.21191( 9h//r1// 7g) i s2p2 9h p i s2p2 8g 104.88221( 9h//r1// 8g) i s2p2 9h p i s2p2 9g -225.90806( 9h//r1// 9g) i s2p2 9h p i s2p2 7i -1.85548( 9h//r1// 7i) i s2p2 9h p i s2p2 8i -13.41836( 9h//r1// 8i) i s2p2 9h p i s2p2 9i 221.82723( 9h//r1// 9i) i s2p2 9h p i sp4 0.00000( //r1// ) i s2p2 9h p i sp3 4p 0.00000( //r1// ) i s2p2 9h p i sp3 5p 0.00000( //r1// ) i s2p2 9h p i sp3 6p 0.00000( //r1// ) i s2p2 9h p i sp3 7p 0.00000( //r1// ) i s2p2 9h p i sp3 8p 0.00000( //r1// ) i s2p2 9h p i sp3 9p 0.00000( //r1// ) i s2p2 9h p i sp3 4f 0.00000( //r1// ) i s2p2 9h p i sp3 5f 0.00000( //r1// ) i s2p2 9h p i sp3 6f 0.00000( //r1// ) i s2p2 9h p i sp3 7f 0.00000( //r1// ) i s2p2 9h p i sp3 8f 0.00000( //r1// ) i s2p2 9h p i sp3 9f 0.00000( //r1// ) i s2p2 8k p i s2p2 4s 0.00000( //r1// ) i s2p2 8k p i s2p2 5s 0.00000( //r1// ) i s2p2 8k p i s2p2 6s 0.00000( //r1// ) i s2p2 8k p i s2p2 7s 0.00000( //r1// ) i s2p2 8k p i s2p2 8s 0.00000( //r1// ) i s2p2 8k p i s2p2 9s 0.00000( //r1// ) i s2p2 8k p i s2p2 3d 0.00000( //r1// ) i s2p2 8k p i s2p2 4d 0.00000( //r1// ) i s2p2 8k p i s2p2 5d 0.00000( //r1// ) i s2p2 8k p i s2p2 6d 0.00000( //r1// ) i s2p2 8k p i s2p2 7d 0.00000( //r1// ) i s2p2 8k p i s2p2 8d 0.00000( //r1// ) i s2p2 8k p i s2p2 9d 0.00000( //r1// ) i s2p2 8k p i s2p2 5g 0.00000( //r1// ) i s2p2 8k p i s2p2 6g 0.00000( //r1// ) i s2p2 8k p i s2p2 7g 0.00000( //r1// ) i s2p2 8k p i s2p2 8g 0.00000( //r1// ) i s2p2 8k p i s2p2 9g 0.00000( //r1// ) i s2p2 8k p i s2p2 7i 138.12717( 8k//r1// 7i) i s2p2 8k p i s2p2 8i -122.96341( 8k//r1// 8i) i s2p2 8k p i s2p2 9i 8.16018( 8k//r1// 9i) i s2p2 8k p i sp4 0.00000( //r1// ) i s2p2 8k p i sp3 4p 0.00000( //r1// ) i s2p2 8k p i sp3 5p 0.00000( //r1// ) i s2p2 8k p i sp3 6p 0.00000( //r1// ) i s2p2 8k p i sp3 7p 0.00000( //r1// ) i s2p2 8k p i sp3 8p 0.00000( //r1// ) i s2p2 8k p i sp3 9p 0.00000( //r1// ) i s2p2 8k p i sp3 4f 0.00000( //r1// ) i s2p2 8k p i sp3 5f 0.00000( //r1// ) i s2p2 8k p i sp3 6f 0.00000( //r1// ) i s2p2 8k p i sp3 7f 0.00000( //r1// ) i s2p2 8k p i sp3 8f 0.00000( //r1// ) i s2p2 8k p i sp3 9f 0.00000( //r1// ) i s2p2 9k p i s2p2 4s 0.00000( //r1// ) i s2p2 9k p i s2p2 5s 0.00000( //r1// ) i s2p2 9k p i s2p2 6s 0.00000( //r1// ) i s2p2 9k p i s2p2 7s 0.00000( //r1// ) i s2p2 9k p i s2p2 8s 0.00000( //r1// ) i s2p2 9k p i s2p2 9s 0.00000( //r1// ) i s2p2 9k p i s2p2 3d 0.00000( //r1// ) i s2p2 9k p i s2p2 4d 0.00000( //r1// ) i s2p2 9k p i s2p2 5d 0.00000( //r1// ) i s2p2 9k p i s2p2 6d 0.00000( //r1// ) i s2p2 9k p i s2p2 7d 0.00000( //r1// ) i s2p2 9k p i s2p2 8d 0.00000( //r1// ) i s2p2 9k p i s2p2 9d 0.00000( //r1// ) i s2p2 9k p i s2p2 5g 0.00000( //r1// ) i s2p2 9k p i s2p2 6g 0.00000( //r1// ) i s2p2 9k p i s2p2 7g 0.00000( //r1// ) i s2p2 9k p i s2p2 8g 0.00000( //r1// ) i s2p2 9k p i s2p2 9g 0.00000( //r1// ) i s2p2 9k p i s2p2 7i 33.27392( 9k//r1// 7i) i s2p2 9k p i s2p2 8i 158.91562( 9k//r1// 8i) i s2p2 9k p i s2p2 9i -202.04894( 9k//r1// 9i) i s2p2 9k p i sp4 0.00000( //r1// ) i s2p2 9k p i sp3 4p 0.00000( //r1// ) i s2p2 9k p i sp3 5p 0.00000( //r1// ) i s2p2 9k p i sp3 6p 0.00000( //r1// ) i s2p2 9k p i sp3 7p 0.00000( //r1// ) i s2p2 9k p i sp3 8p 0.00000( //r1// ) i s2p2 9k p i sp3 9p 0.00000( //r1// ) i s2p2 9k p i sp3 4f 0.00000( //r1// ) i s2p2 9k p i sp3 5f 0.00000( //r1// ) i s2p2 9k p i sp3 6f 0.00000( //r1// ) i s2p2 9k p i sp3 7f 0.00000( //r1// ) i s2p2 9k p i sp3 8f 0.00000( //r1// ) i s2p2 9k p i sp3 9f 0.00000( //r1// ) i sp3 4s p i s2p2 4s 0.00000( //r1// ) i sp3 4s p i s2p2 5s 0.00000( //r1// ) i sp3 4s p i s2p2 6s 0.00000( //r1// ) i sp3 4s p i s2p2 7s 0.00000( //r1// ) i sp3 4s p i s2p2 8s 0.00000( //r1// ) i sp3 4s p i s2p2 9s 0.00000( //r1// ) i sp3 4s p i s2p2 3d 0.00000( //r1// ) i sp3 4s p i s2p2 4d 0.00000( //r1// ) i sp3 4s p i s2p2 5d 0.00000( //r1// ) i sp3 4s p i s2p2 6d 0.00000( //r1// ) i sp3 4s p i s2p2 7d 0.00000( //r1// ) i sp3 4s p i s2p2 8d 0.00000( //r1// ) i sp3 4s p i s2p2 9d 0.00000( //r1// ) i sp3 4s p i s2p2 5g 0.00000( //r1// ) i sp3 4s p i s2p2 6g 0.00000( //r1// ) i sp3 4s p i s2p2 7g 0.00000( //r1// ) i sp3 4s p i s2p2 8g 0.00000( //r1// ) i sp3 4s p i s2p2 9g 0.00000( //r1// ) i sp3 4s p i s2p2 7i 0.00000( //r1// ) i sp3 4s p i s2p2 8i 0.00000( //r1// ) i sp3 4s p i s2p2 9i 0.00000( //r1// ) i sp3 4s p i sp4 -1.25263( 4s//r1// 3p) i sp3 4s p i sp3 4p 6.64339( 4s//r1// 4p) i sp3 4s p i sp3 5p 0.53513( 4s//r1// 5p) i sp3 4s p i sp3 6p 0.17586( 4s//r1// 6p) i sp3 4s p i sp3 7p 0.08267( 4s//r1// 7p) i sp3 4s p i sp3 8p 0.04558( 4s//r1// 8p) i sp3 4s p i sp3 9p 0.02739( 4s//r1// 9p) i sp3 4s p i sp3 4f 0.00000( //r1// ) i sp3 4s p i sp3 5f 0.00000( //r1// ) i sp3 4s p i sp3 6f 0.00000( //r1// ) i sp3 4s p i sp3 7f 0.00000( //r1// ) i sp3 4s p i sp3 8f 0.00000( //r1// ) i sp3 4s p i sp3 9f 0.00000( //r1// ) i sp3 5s p i s2p2 4s 0.00000( //r1// ) i sp3 5s p i s2p2 5s 0.00000( //r1// ) i sp3 5s p i s2p2 6s 0.00000( //r1// ) i sp3 5s p i s2p2 7s 0.00000( //r1// ) i sp3 5s p i s2p2 8s 0.00000( //r1// ) i sp3 5s p i s2p2 9s 0.00000( //r1// ) i sp3 5s p i s2p2 3d 0.00000( //r1// ) i sp3 5s p i s2p2 4d 0.00000( //r1// ) i sp3 5s p i s2p2 5d 0.00000( //r1// ) i sp3 5s p i s2p2 6d 0.00000( //r1// ) i sp3 5s p i s2p2 7d 0.00000( //r1// ) i sp3 5s p i s2p2 8d 0.00000( //r1// ) i sp3 5s p i s2p2 9d 0.00000( //r1// ) i sp3 5s p i s2p2 5g 0.00000( //r1// ) i sp3 5s p i s2p2 6g 0.00000( //r1// ) i sp3 5s p i s2p2 7g 0.00000( //r1// ) i sp3 5s p i s2p2 8g 0.00000( //r1// ) i sp3 5s p i s2p2 9g 0.00000( //r1// ) i sp3 5s p i s2p2 7i 0.00000( //r1// ) i sp3 5s p i s2p2 8i 0.00000( //r1// ) i sp3 5s p i s2p2 9i 0.00000( //r1// ) i sp3 5s p i sp4 -0.43436( 5s//r1// 3p) i sp3 5s p i sp3 4p -6.12712( 5s//r1// 4p) i sp3 5s p i sp3 5p 13.47201( 5s//r1// 5p) i sp3 5s p i sp3 6p 1.34553( 5s//r1// 6p) i sp3 5s p i sp3 7p 0.49799( 5s//r1// 7p) i sp3 5s p i sp3 8p 0.26348( 5s//r1// 8p) i sp3 5s p i sp3 9p 0.16471( 5s//r1// 9p) i sp3 5s p i sp3 4f 0.00000( //r1// ) i sp3 5s p i sp3 5f 0.00000( //r1// ) i sp3 5s p i sp3 6f 0.00000( //r1// ) i sp3 5s p i sp3 7f 0.00000( //r1// ) i sp3 5s p i sp3 8f 0.00000( //r1// ) i sp3 5s p i sp3 9f 0.00000( //r1// ) i sp3 6s p i s2p2 4s 0.00000( //r1// ) i sp3 6s p i s2p2 5s 0.00000( //r1// ) i sp3 6s p i s2p2 6s 0.00000( //r1// ) i sp3 6s p i s2p2 7s 0.00000( //r1// ) i sp3 6s p i s2p2 8s 0.00000( //r1// ) i sp3 6s p i s2p2 9s 0.00000( //r1// ) i sp3 6s p i s2p2 3d 0.00000( //r1// ) i sp3 6s p i s2p2 4d 0.00000( //r1// ) i sp3 6s p i s2p2 5d 0.00000( //r1// ) i sp3 6s p i s2p2 6d 0.00000( //r1// ) i sp3 6s p i s2p2 7d 0.00000( //r1// ) i sp3 6s p i s2p2 8d 0.00000( //r1// ) i sp3 6s p i s2p2 9d 0.00000( //r1// ) i sp3 6s p i s2p2 5g 0.00000( //r1// ) i sp3 6s p i s2p2 6g 0.00000( //r1// ) i sp3 6s p i s2p2 7g 0.00000( //r1// ) i sp3 6s p i s2p2 8g 0.00000( //r1// ) i sp3 6s p i s2p2 9g 0.00000( //r1// ) i sp3 6s p i s2p2 7i 0.00000( //r1// ) i sp3 6s p i s2p2 8i 0.00000( //r1// ) i sp3 6s p i s2p2 9i 0.00000( //r1// ) i sp3 6s p i sp4 -0.24479( 6s//r1// 3p) i sp3 6s p i sp3 4p -1.32204( 6s//r1// 4p) i sp3 6s p i sp3 5p -12.76861( 6s//r1// 5p) i sp3 6s p i sp3 6p 22.55466( 6s//r1// 6p) i sp3 6s p i sp3 7p 2.43137( 6s//r1// 7p) i sp3 6s p i sp3 8p 0.93718( 6s//r1// 8p) i sp3 6s p i sp3 9p 0.51271( 6s//r1// 9p) i sp3 6s p i sp3 4f 0.00000( //r1// ) i sp3 6s p i sp3 5f 0.00000( //r1// ) i sp3 6s p i sp3 6f 0.00000( //r1// ) i sp3 6s p i sp3 7f 0.00000( //r1// ) i sp3 6s p i sp3 8f 0.00000( //r1// ) i sp3 6s p i sp3 9f 0.00000( //r1// ) i sp3 7s p i s2p2 4s 0.00000( //r1// ) i sp3 7s p i s2p2 5s 0.00000( //r1// ) i sp3 7s p i s2p2 6s 0.00000( //r1// ) i sp3 7s p i s2p2 7s 0.00000( //r1// ) i sp3 7s p i s2p2 8s 0.00000( //r1// ) i sp3 7s p i s2p2 9s 0.00000( //r1// ) i sp3 7s p i s2p2 3d 0.00000( //r1// ) i sp3 7s p i s2p2 4d 0.00000( //r1// ) i sp3 7s p i s2p2 5d 0.00000( //r1// ) i sp3 7s p i s2p2 6d 0.00000( //r1// ) i sp3 7s p i s2p2 7d 0.00000( //r1// ) i sp3 7s p i s2p2 8d 0.00000( //r1// ) i sp3 7s p i s2p2 9d 0.00000( //r1// ) i sp3 7s p i s2p2 5g 0.00000( //r1// ) i sp3 7s p i s2p2 6g 0.00000( //r1// ) i sp3 7s p i s2p2 7g 0.00000( //r1// ) i sp3 7s p i s2p2 8g 0.00000( //r1// ) i sp3 7s p i s2p2 9g 0.00000( //r1// ) i sp3 7s p i s2p2 7i 0.00000( //r1// ) i sp3 7s p i s2p2 8i 0.00000( //r1// ) i sp3 7s p i s2p2 9i 0.00000( //r1// ) i sp3 7s p i sp4 -0.16394( 7s//r1// 3p) i sp3 7s p i sp3 4p -0.67841( 7s//r1// 4p) i sp3 7s p i sp3 5p -2.46815( 7s//r1// 5p) i sp3 7s p i sp3 6p -21.45520( 7s//r1// 6p) i sp3 7s p i sp3 7p 33.93096( 7s//r1// 7p) i sp3 7s p i sp3 8p 3.77824( 7s//r1// 8p) i sp3 7s p i sp3 9p 1.48200( 7s//r1// 9p) i sp3 7s p i sp3 4f 0.00000( //r1// ) i sp3 7s p i sp3 5f 0.00000( //r1// ) i sp3 7s p i sp3 6f 0.00000( //r1// ) i sp3 7s p i sp3 7f 0.00000( //r1// ) i sp3 7s p i sp3 8f 0.00000( //r1// ) i sp3 7s p i sp3 9f 0.00000( //r1// ) i sp3 8s p i s2p2 4s 0.00000( //r1// ) i sp3 8s p i s2p2 5s 0.00000( //r1// ) i sp3 8s p i s2p2 6s 0.00000( //r1// ) i sp3 8s p i s2p2 7s 0.00000( //r1// ) i sp3 8s p i s2p2 8s 0.00000( //r1// ) i sp3 8s p i s2p2 9s 0.00000( //r1// ) i sp3 8s p i s2p2 3d 0.00000( //r1// ) i sp3 8s p i s2p2 4d 0.00000( //r1// ) i sp3 8s p i s2p2 5d 0.00000( //r1// ) i sp3 8s p i s2p2 6d 0.00000( //r1// ) i sp3 8s p i s2p2 7d 0.00000( //r1// ) i sp3 8s p i s2p2 8d 0.00000( //r1// ) i sp3 8s p i s2p2 9d 0.00000( //r1// ) i sp3 8s p i s2p2 5g 0.00000( //r1// ) i sp3 8s p i s2p2 6g 0.00000( //r1// ) i sp3 8s p i s2p2 7g 0.00000( //r1// ) i sp3 8s p i s2p2 8g 0.00000( //r1// ) i sp3 8s p i s2p2 9g 0.00000( //r1// ) i sp3 8s p i s2p2 7i 0.00000( //r1// ) i sp3 8s p i s2p2 8i 0.00000( //r1// ) i sp3 8s p i s2p2 9i 0.00000( //r1// ) i sp3 8s p i sp4 -0.12012( 8s//r1// 3p) i sp3 8s p i sp3 4p -0.44140( 8s//r1// 4p) i sp3 8s p i sp3 5p -1.22267( 8s//r1// 5p) i sp3 8s p i sp3 6p -3.92121( 8s//r1// 6p) i sp3 8s p i sp3 7p -32.22536( 8s//r1// 7p) i sp3 8s p i sp3 8p 47.60714( 8s//r1// 8p) i sp3 8s p i sp3 9p 5.38529( 8s//r1// 9p) i sp3 8s p i sp3 4f 0.00000( //r1// ) i sp3 8s p i sp3 5f 0.00000( //r1// ) i sp3 8s p i sp3 6f 0.00000( //r1// ) i sp3 8s p i sp3 7f 0.00000( //r1// ) i sp3 8s p i sp3 8f 0.00000( //r1// ) i sp3 8s p i sp3 9f 0.00000( //r1// ) i sp3 9s p i s2p2 4s 0.00000( //r1// ) i sp3 9s p i s2p2 5s 0.00000( //r1// ) i sp3 9s p i s2p2 6s 0.00000( //r1// ) i sp3 9s p i s2p2 7s 0.00000( //r1// ) i sp3 9s p i s2p2 8s 0.00000( //r1// ) i sp3 9s p i s2p2 9s 0.00000( //r1// ) i sp3 9s p i s2p2 3d 0.00000( //r1// ) i sp3 9s p i s2p2 4d 0.00000( //r1// ) i sp3 9s p i s2p2 5d 0.00000( //r1// ) i sp3 9s p i s2p2 6d 0.00000( //r1// ) i sp3 9s p i s2p2 7d 0.00000( //r1// ) i sp3 9s p i s2p2 8d 0.00000( //r1// ) i sp3 9s p i s2p2 9d 0.00000( //r1// ) i sp3 9s p i s2p2 5g 0.00000( //r1// ) i sp3 9s p i s2p2 6g 0.00000( //r1// ) i sp3 9s p i s2p2 7g 0.00000( //r1// ) i sp3 9s p i s2p2 8g 0.00000( //r1// ) i sp3 9s p i s2p2 9g 0.00000( //r1// ) i sp3 9s p i s2p2 7i 0.00000( //r1// ) i sp3 9s p i s2p2 8i 0.00000( //r1// ) i sp3 9s p i s2p2 9i 0.00000( //r1// ) i sp3 9s p i sp4 -0.09306( 9s//r1// 3p) i sp3 9s p i sp3 4p -0.32067( 9s//r1// 4p) i sp3 9s p i sp3 5p -0.78323( 9s//r1// 5p) i sp3 9s p i sp3 6p -1.89734( 9s//r1// 6p) i sp3 9s p i sp3 7p -5.68593( 9s//r1// 7p) i sp3 9s p i sp3 8p -45.09175( 9s//r1// 8p) i sp3 9s p i sp3 9p 63.58641( 9s//r1// 9p) i sp3 9s p i sp3 4f 0.00000( //r1// ) i sp3 9s p i sp3 5f 0.00000( //r1// ) i sp3 9s p i sp3 6f 0.00000( //r1// ) i sp3 9s p i sp3 7f 0.00000( //r1// ) i sp3 9s p i sp3 8f 0.00000( //r1// ) i sp3 9s p i sp3 9f 0.00000( //r1// ) i sp3 3d p i s2p2 4s 0.00000( //r1// ) i sp3 3d p i s2p2 5s 0.00000( //r1// ) i sp3 3d p i s2p2 6s 0.00000( //r1// ) i sp3 3d p i s2p2 7s 0.00000( //r1// ) i sp3 3d p i s2p2 8s 0.00000( //r1// ) i sp3 3d p i s2p2 9s 0.00000( //r1// ) i sp3 3d p i s2p2 3d 0.00000( //r1// ) i sp3 3d p i s2p2 4d 0.00000( //r1// ) i sp3 3d p i s2p2 5d 0.00000( //r1// ) i sp3 3d p i s2p2 6d 0.00000( //r1// ) i sp3 3d p i s2p2 7d 0.00000( //r1// ) i sp3 3d p i s2p2 8d 0.00000( //r1// ) i sp3 3d p i s2p2 9d 0.00000( //r1// ) i sp3 3d p i s2p2 5g 0.00000( //r1// ) i sp3 3d p i s2p2 6g 0.00000( //r1// ) i sp3 3d p i s2p2 7g 0.00000( //r1// ) i sp3 3d p i s2p2 8g 0.00000( //r1// ) i sp3 3d p i s2p2 9g 0.00000( //r1// ) i sp3 3d p i s2p2 7i 0.00000( //r1// ) i sp3 3d p i s2p2 8i 0.00000( //r1// ) i sp3 3d p i s2p2 9i 0.00000( //r1// ) i sp3 3d p i sp4 -2.12501( 3d//r1// 3p) i sp3 3d p i sp3 4p 11.62306( 3d//r1// 4p) i sp3 3d p i sp3 5p -5.27540( 3d//r1// 5p) i sp3 3d p i sp3 6p -1.34509( 3d//r1// 6p) i sp3 3d p i sp3 7p -0.70107( 3d//r1// 7p) i sp3 3d p i sp3 8p -0.45823( 3d//r1// 8p) i sp3 3d p i sp3 9p -0.33421( 3d//r1// 9p) i sp3 3d p i sp3 4f -13.21819( 3d//r1// 4f) i sp3 3d p i sp3 5f -5.48800( 3d//r1// 5f) i sp3 3d p i sp3 6f -3.27806( 3d//r1// 6f) i sp3 3d p i sp3 7f -2.27833( 3d//r1// 7f) i sp3 3d p i sp3 8f -1.71852( 3d//r1// 8f) i sp3 3d p i sp3 9f -1.36405( 3d//r1// 9f) i sp3 4d p i s2p2 4s 0.00000( //r1// ) i sp3 4d p i s2p2 5s 0.00000( //r1// ) i sp3 4d p i s2p2 6s 0.00000( //r1// ) i sp3 4d p i s2p2 7s 0.00000( //r1// ) i sp3 4d p i s2p2 8s 0.00000( //r1// ) i sp3 4d p i s2p2 9s 0.00000( //r1// ) i sp3 4d p i s2p2 3d 0.00000( //r1// ) i sp3 4d p i s2p2 4d 0.00000( //r1// ) i sp3 4d p i s2p2 5d 0.00000( //r1// ) i sp3 4d p i s2p2 6d 0.00000( //r1// ) i sp3 4d p i s2p2 7d 0.00000( //r1// ) i sp3 4d p i s2p2 8d 0.00000( //r1// ) i sp3 4d p i s2p2 9d 0.00000( //r1// ) i sp3 4d p i s2p2 5g 0.00000( //r1// ) i sp3 4d p i s2p2 6g 0.00000( //r1// ) i sp3 4d p i s2p2 7g 0.00000( //r1// ) i sp3 4d p i s2p2 8g 0.00000( //r1// ) i sp3 4d p i s2p2 9g 0.00000( //r1// ) i sp3 4d p i s2p2 7i 0.00000( //r1// ) i sp3 4d p i s2p2 8i 0.00000( //r1// ) i sp3 4d p i s2p2 9i 0.00000( //r1// ) i sp3 4d p i sp4 -1.36517( 4d//r1// 3p) i sp3 4d p i sp3 4p -4.80056( 4d//r1// 4p) i sp3 4d p i sp3 5p 24.18284( 4d//r1// 5p) i sp3 4d p i sp3 6p -8.03572( 4d//r1// 6p) i sp3 4d p i sp3 7p -2.44217( 4d//r1// 7p) i sp3 4d p i sp3 8p -1.31939( 4d//r1// 8p) i sp3 4d p i sp3 9p -0.87468( 4d//r1// 9p) i sp3 4d p i sp3 4f 28.46260( 4d//r1// 4f) i sp3 4d p i sp3 5f -10.11349( 4d//r1// 5f) i sp3 4d p i sp3 6f -5.63993( 4d//r1// 6f) i sp3 4d p i sp3 7f -3.75730( 4d//r1// 7f) i sp3 4d p i sp3 8f -2.76472( 4d//r1// 8f) i sp3 4d p i sp3 9f -2.16080( 4d//r1// 9f) i sp3 5d p i s2p2 4s 0.00000( //r1// ) i sp3 5d p i s2p2 5s 0.00000( //r1// ) i sp3 5d p i s2p2 6s 0.00000( //r1// ) i sp3 5d p i s2p2 7s 0.00000( //r1// ) i sp3 5d p i s2p2 8s 0.00000( //r1// ) i sp3 5d p i s2p2 9s 0.00000( //r1// ) i sp3 5d p i s2p2 3d 0.00000( //r1// ) i sp3 5d p i s2p2 4d 0.00000( //r1// ) i sp3 5d p i s2p2 5d 0.00000( //r1// ) i sp3 5d p i s2p2 6d 0.00000( //r1// ) i sp3 5d p i s2p2 7d 0.00000( //r1// ) i sp3 5d p i s2p2 8d 0.00000( //r1// ) i sp3 5d p i s2p2 9d 0.00000( //r1// ) i sp3 5d p i s2p2 5g 0.00000( //r1// ) i sp3 5d p i s2p2 6g 0.00000( //r1// ) i sp3 5d p i s2p2 7g 0.00000( //r1// ) i sp3 5d p i s2p2 8g 0.00000( //r1// ) i sp3 5d p i s2p2 9g 0.00000( //r1// ) i sp3 5d p i s2p2 7i 0.00000( //r1// ) i sp3 5d p i s2p2 8i 0.00000( //r1// ) i sp3 5d p i s2p2 9i 0.00000( //r1// ) i sp3 5d p i sp4 -0.85330( 5d//r1// 3p) i sp3 5d p i sp3 4p -2.79754( 5d//r1// 4p) i sp3 5d p i sp3 5p -8.70149( 5d//r1// 5p) i sp3 5d p i sp3 6p 41.15817( 5d//r1// 6p) i sp3 5d p i sp3 7p -11.57945( 5d//r1// 7p) i sp3 5d p i sp3 8p -3.74981( 5d//r1// 8p) i sp3 5d p i sp3 9p -2.05044( 5d//r1// 9p) i sp3 5d p i sp3 4f -11.86359( 5d//r1// 4f) i sp3 5d p i sp3 5f 51.07350( 5d//r1// 5f) i sp3 5d p i sp3 6f -6.83474( 5d//r1// 6f) i sp3 5d p i sp3 7f -4.76859( 5d//r1// 7f) i sp3 5d p i sp3 8f -3.44286( 5d//r1// 8f) i sp3 5d p i sp3 9f -2.64439( 5d//r1// 9f) i sp3 6d p i s2p2 4s 0.00000( //r1// ) i sp3 6d p i s2p2 5s 0.00000( //r1// ) i sp3 6d p i s2p2 6s 0.00000( //r1// ) i sp3 6d p i s2p2 7s 0.00000( //r1// ) i sp3 6d p i s2p2 8s 0.00000( //r1// ) i sp3 6d p i s2p2 9s 0.00000( //r1// ) i sp3 6d p i s2p2 3d 0.00000( //r1// ) i sp3 6d p i s2p2 4d 0.00000( //r1// ) i sp3 6d p i s2p2 5d 0.00000( //r1// ) i sp3 6d p i s2p2 6d 0.00000( //r1// ) i sp3 6d p i s2p2 7d 0.00000( //r1// ) i sp3 6d p i s2p2 8d 0.00000( //r1// ) i sp3 6d p i s2p2 9d 0.00000( //r1// ) i sp3 6d p i s2p2 5g 0.00000( //r1// ) i sp3 6d p i s2p2 6g 0.00000( //r1// ) i sp3 6d p i s2p2 7g 0.00000( //r1// ) i sp3 6d p i s2p2 8g 0.00000( //r1// ) i sp3 6d p i s2p2 9g 0.00000( //r1// ) i sp3 6d p i s2p2 7i 0.00000( //r1// ) i sp3 6d p i s2p2 8i 0.00000( //r1// ) i sp3 6d p i s2p2 9i 0.00000( //r1// ) i sp3 6d p i sp4 -0.58076( 6d//r1// 3p) i sp3 6d p i sp3 4p -1.80705( 6d//r1// 4p) i sp3 6d p i sp3 5p -4.44515( 6d//r1// 5p) i sp3 6d p i sp3 6p -13.32318( 6d//r1// 6p) i sp3 6d p i sp3 7p 62.40978( 6d//r1// 7p) i sp3 6d p i sp3 8p -16.27804( 6d//r1// 8p) i sp3 6d p i sp3 9p -5.40138( 6d//r1// 9p) i sp3 6d p i sp3 4f -2.79708( 6d//r1// 4f) i sp3 6d p i sp3 5f -25.75382( 6d//r1// 5f) i sp3 6d p i sp3 6f 76.36741( 6d//r1// 6f) i sp3 6d p i sp3 7f -3.82228( 6d//r1// 7f) i sp3 6d p i sp3 8f -3.76403( 6d//r1// 8f) i sp3 6d p i sp3 9f -2.97087( 6d//r1// 9f) i sp3 7d p i s2p2 4s 0.00000( //r1// ) i sp3 7d p i s2p2 5s 0.00000( //r1// ) i sp3 7d p i s2p2 6s 0.00000( //r1// ) i sp3 7d p i s2p2 7s 0.00000( //r1// ) i sp3 7d p i s2p2 8s 0.00000( //r1// ) i sp3 7d p i s2p2 9s 0.00000( //r1// ) i sp3 7d p i s2p2 3d 0.00000( //r1// ) i sp3 7d p i s2p2 4d 0.00000( //r1// ) i sp3 7d p i s2p2 5d 0.00000( //r1// ) i sp3 7d p i s2p2 6d 0.00000( //r1// ) i sp3 7d p i s2p2 7d 0.00000( //r1// ) i sp3 7d p i s2p2 8d 0.00000( //r1// ) i sp3 7d p i s2p2 9d 0.00000( //r1// ) i sp3 7d p i s2p2 5g 0.00000( //r1// ) i sp3 7d p i s2p2 6g 0.00000( //r1// ) i sp3 7d p i s2p2 7g 0.00000( //r1// ) i sp3 7d p i s2p2 8g 0.00000( //r1// ) i sp3 7d p i s2p2 9g 0.00000( //r1// ) i sp3 7d p i s2p2 7i 0.00000( //r1// ) i sp3 7d p i s2p2 8i 0.00000( //r1// ) i sp3 7d p i s2p2 9i 0.00000( //r1// ) i sp3 7d p i sp4 -0.42545( 7d//r1// 3p) i sp3 7d p i sp3 4p -1.28595( 7d//r1// 4p) i sp3 7d p i sp3 5p -2.82688( 7d//r1// 5p) i sp3 7d p i sp3 6p -6.32921( 7d//r1// 6p) i sp3 7d p i sp3 7p -18.64124( 7d//r1// 7p) i sp3 7d p i sp3 8p 87.91980( 7d//r1// 8p) i sp3 7d p i sp3 9p -22.14080( 7d//r1// 9p) i sp3 7d p i sp3 4f -1.37699( 7d//r1// 4f) i sp3 7d p i sp3 5f -5.66113( 7d//r1// 5f) i sp3 7d p i sp3 6f -43.22017( 7d//r1// 6f) i sp3 7d p i sp3 7f 105.23027( 7d//r1// 7f) i sp3 7d p i sp3 8f -0.79330( 7d//r1// 8f) i sp3 7d p i sp3 9f -2.69626( 7d//r1// 9f) i sp3 8d p i s2p2 4s 0.00000( //r1// ) i sp3 8d p i s2p2 5s 0.00000( //r1// ) i sp3 8d p i s2p2 6s 0.00000( //r1// ) i sp3 8d p i s2p2 7s 0.00000( //r1// ) i sp3 8d p i s2p2 8s 0.00000( //r1// ) i sp3 8d p i s2p2 9s 0.00000( //r1// ) i sp3 8d p i s2p2 3d 0.00000( //r1// ) i sp3 8d p i s2p2 4d 0.00000( //r1// ) i sp3 8d p i s2p2 5d 0.00000( //r1// ) i sp3 8d p i s2p2 6d 0.00000( //r1// ) i sp3 8d p i s2p2 7d 0.00000( //r1// ) i sp3 8d p i s2p2 8d 0.00000( //r1// ) i sp3 8d p i s2p2 9d 0.00000( //r1// ) i sp3 8d p i s2p2 5g 0.00000( //r1// ) i sp3 8d p i s2p2 6g 0.00000( //r1// ) i sp3 8d p i s2p2 7g 0.00000( //r1// ) i sp3 8d p i s2p2 8g 0.00000( //r1// ) i sp3 8d p i s2p2 9g 0.00000( //r1// ) i sp3 8d p i s2p2 7i 0.00000( //r1// ) i sp3 8d p i s2p2 8i 0.00000( //r1// ) i sp3 8d p i s2p2 9i 0.00000( //r1// ) i sp3 8d p i sp4 -0.32858( 8d//r1// 3p) i sp3 8d p i sp3 4p -0.97723( 8d//r1// 4p) i sp3 8d p i sp3 5p -2.01816( 8d//r1// 5p) i sp3 8d p i sp3 6p -3.96214( 8d//r1// 6p) i sp3 8d p i sp3 7p -8.46788( 8d//r1// 7p) i sp3 8d p i sp3 8p -24.66833( 8d//r1// 8p) i sp3 8d p i sp3 9p 117.68005( 8d//r1// 9p) i sp3 8d p i sp3 4f -0.86682( 8d//r1// 4f) i sp3 8d p i sp3 5f -2.75145( 8d//r1// 5f) i sp3 8d p i sp3 6f -9.09000( 8d//r1// 6f) i sp3 8d p i sp3 7f -64.24847( 8d//r1// 7f) i sp3 8d p i sp3 8f 137.94952( 8d//r1// 8f) i sp3 8d p i sp3 9f 2.43674( 8d//r1// 9f) i sp3 9d p i s2p2 4s 0.00000( //r1// ) i sp3 9d p i s2p2 5s 0.00000( //r1// ) i sp3 9d p i s2p2 6s 0.00000( //r1// ) i sp3 9d p i s2p2 7s 0.00000( //r1// ) i sp3 9d p i s2p2 8s 0.00000( //r1// ) i sp3 9d p i s2p2 9s 0.00000( //r1// ) i sp3 9d p i s2p2 3d 0.00000( //r1// ) i sp3 9d p i s2p2 4d 0.00000( //r1// ) i sp3 9d p i s2p2 5d 0.00000( //r1// ) i sp3 9d p i s2p2 6d 0.00000( //r1// ) i sp3 9d p i s2p2 7d 0.00000( //r1// ) i sp3 9d p i s2p2 8d 0.00000( //r1// ) i sp3 9d p i s2p2 9d 0.00000( //r1// ) i sp3 9d p i s2p2 5g 0.00000( //r1// ) i sp3 9d p i s2p2 6g 0.00000( //r1// ) i sp3 9d p i s2p2 7g 0.00000( //r1// ) i sp3 9d p i s2p2 8g 0.00000( //r1// ) i sp3 9d p i s2p2 9g 0.00000( //r1// ) i sp3 9d p i s2p2 7i 0.00000( //r1// ) i sp3 9d p i s2p2 8i 0.00000( //r1// ) i sp3 9d p i s2p2 9i 0.00000( //r1// ) i sp3 9d p i sp4 -0.26363( 9d//r1// 3p) i sp3 9d p i sp3 4p -0.77697( 9d//r1// 4p) i sp3 9d p i sp3 5p -1.54405( 9d//r1// 5p) i sp3 9d p i sp3 6p -2.81902( 9d//r1// 6p) i sp3 9d p i sp3 7p -5.22863( 9d//r1// 7p) i sp3 9d p i sp3 8p -10.86726( 9d//r1// 8p) i sp3 9d p i sp3 9p -31.41136( 9d//r1// 9p) i sp3 9d p i sp3 4f -0.61628( 9d//r1// 4f) i sp3 9d p i sp3 5f -1.72312( 9d//r1// 5f) i sp3 9d p i sp3 6f -4.37475( 9d//r1// 6f) i sp3 9d p i sp3 7f -13.08815( 9d//r1// 7f) i sp3 9d p i sp3 8f -88.83466( 9d//r1// 8f) i sp3 9d p i sp3 9f 174.63576( 9d//r1// 9f)