1 83232834340 1 3 1000.0000 7 0 0 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)