1 83333834340 1 3 1000.0000 7 0 0 2 p 3 p 0 f 0 h 0 k 0 s 0 d 0 k v s2p3 e= -130986.916 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 k v s2p2 4p e= -130614.631 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 k v s2p2 5p e= -130496.701 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 k v s2p2 6p e= -130442.078 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 k v s2p2 7p e= -130411.984 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 k v s2p2 8p e= -130393.597 2 p 2 p 1 f 0 h 0 k 0 s 0 d 0 k v s2p2 9p e= -130381.532 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 k v s2p2 4f e= -130518.591 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 k v s2p2 5f e= -130453.764 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 k v s2p2 6f e= -130419.012 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 k v s2p2 7f e= -130398.140 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 k v s2p2 8f e= -130384.629 2 p 2 p 0 f 1 h 0 k 0 s 0 d 0 k v s2p2 9f e= -130375.390 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 k v s2p2 6h e= -130417.241 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 k v s2p2 7h e= -130397.008 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 k v s2p2 8h e= -130383.861 2 p 2 p 0 f 0 h 1 k 0 s 0 d 0 k v s2p2 9h e= -130374.845 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 k v s2p2 8k e= -130383.779 2 p 2 p 0 f 0 h 0 k 1 s 0 d 0 k v s2p2 9k e= -130374.783 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 k v sp3 4s e= -130504.441 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 k v sp3 5s e= -130360.215 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 k v sp3 6s e= -130296.162 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 k v sp3 7s e= -130261.869 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 k v sp3 8s e= -130241.327 1 p 3 p 0 f 0 h 0 k 0 s 1 d 0 k v sp3 9s e= -130228.042 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 k v sp3 3d e= -130611.691 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 k v sp3 4d e= -130394.723 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 k v sp3 5d e= -130312.590 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 k v sp3 6d e= -130271.124 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 k v sp3 7d e= -130247.069 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 k v sp3 8d e= -130231.850 1 p 3 p 0 f 0 h 0 k 0 s 0 d 1 k v sp3 9d e= -130221.612 0 p 5 p 0 f 0 h 0 k 0 s 0 d 0 k v p5 e= -130628.520 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 k v s2p2 4s e= -130661.618 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 k v s2p2 5s e= -130516.535 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 k v s2p2 6s e= -130452.304 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 k v s2p2 7s e= -130417.948 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 k v s2p2 8s e= -130397.377 2 p 2 s 1 d 0 g 0 i 0 p 0 f 0 k v s2p2 9s e= -130384.077 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 k v s2p2 3d e= -130762.598 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 k v s2p2 4d e= -130549.950 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 k v s2p2 5d e= -130468.276 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 k v s2p2 6d e= -130426.960 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 k v s2p2 7d e= -130402.973 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 k v s2p2 8d e= -130387.791 2 p 2 s 0 d 1 g 0 i 0 p 0 f 0 k v s2p2 9d e= -130377.574 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 k v s2p2 5g e= -130451.518 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 k v s2p2 6g e= -130417.660 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 k v s2p2 7g e= -130397.248 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 k v s2p2 8g e= -130384.011 2 p 2 s 0 d 0 g 1 i 0 p 0 f 0 k v s2p2 9g e= -130374.946 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 k v s2p2 7i e= -130396.913 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 k v s2p2 8i e= -130383.793 2 p 2 s 0 d 0 g 0 i 1 p 0 f 0 k v s2p2 9i e= -130374.795 1 p 4 s 0 d 0 g 0 i 0 p 0 f 0 k v sp4 e= -130823.211 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 k v sp3 4p e= -130459.692 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 k v sp3 5p e= -130341.095 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 k v sp3 6p e= -130286.266 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 k v sp3 7p e= -130256.087 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 k v sp3 8p e= -130237.659 1 p 3 s 0 d 0 g 0 i 0 p 1 f 0 k v sp3 9p e= -130225.571 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 k v sp3 4f e= -130363.009 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 k v sp3 5f e= -130297.979 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 k v sp3 6f e= -130263.137 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 k v sp3 7f e= -130242.216 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 k v sp3 8f e= -130228.677 1 p 3 s 0 d 0 g 0 i 0 p 0 f 1 k v sp3 9f e= -130219.421 v s2p3 3 00 8049391 184522 00 00xr99999999 v s2p2 4p 7 37228480 8283991 198022 47402 2454563xr99999999 736244 835594 v s2p2 5p 7 49021490 8338231 200302 20222 954713xr99999999 248264 299754 v s2p2 6p 7 54483850 8355551 201082 10442 467073xr99999999 116034 143964 v s2p2 7p 7 57493280 8362661 201402 6092 263793xr99999999 64284 80924 v s2p2 8p 7 59331940 8366141 201562 3872 163893xr99999999 39554 50234 v s2p2 9p 7 60538390 8368061 201662 2612 108943xr99999999 26154 33404 v s2p2 4f 7 46832560 8320611 199922 222 1877173xr99999999 906994 596294 v s2p2 5f 7 53315270 8345671 200742 122 911973xr99999999 546764 364744 v s2p2 6f 7 56790380 8358061 201222 72 494183xr99999999 316274 212664 v s2p2 7f 7 58877640 8363741 201462 42 296533xr99999999 195364 131984 v s2p2 8f 7 60228750 8366671 201592 32 192093xr99999999 128574 87134 v s2p2 9f 7 61152670 8368341 201672 22 131723xr99999999 89034 60464 v s2p2 6h 7 56967490 8371761 201842 12 128033xr99999999 664 494 v s2p2 7h 7 58990780 8371731 201842 12 80813xr99999999 834 614 v s2p2 8h 7 60305510 8371751 201842 02 54263xr99999999 774 574 v s2p2 9h 7 61207160 8371781 201842 02 38193xr99999999 664 494 v s2p2 8k 7 60313700 8371901 201842 02 21193xr99999999 04 04 v s2p2 9k 7 61213360 8371901 201842 02 14883xr99999999 04 04 v sp3 4s 6 48247510 8277671 198102 11162224 720794xr99999999 910304 v sp3 5s 6 62670100 8345791 200872 11231154 225474xr99999999 285854 v sp3 6s 6 69075430 8364191 201692 11250434 102144xr99999999 130604 v sp3 7s 6 72504720 8371351 202022 11258024 55614xr99999999 71484 v sp3 8s 6 74558900 8374771 202182 11261664 33814xr99999999 43614 v sp3 9s 6 75887390 8376621 202272 11263644 22164xr99999999 28644 v sp3 3d 9 37522540 8083931 186502 7792 7581173xr99999999 10939974 7323714 9368084 5811764 v sp3 4d 9 59219330 8312781 199192 2292 1993913xr99999999 11195784 773444 778754 669964 v sp3 5d 9 67432630 8348901 200942 1112 853013xr99999999 11234044 288474 281064 265144 v sp3 6d 9 71579190 8363551 201642 612 443063xr99999999 11249594 142114 136664 134424 v sp3 7d 9 73984770 8370321 201962 372 259843xr99999999 11256824 81184 77534 78024 v sp3 8d 9 75506580 8373851 202132 242 165673xr99999999 11260624 51004 48504 49484 v sp3 9d 9 76530470 8375871 202232 162 112253xr99999999 11262804 34234 32474 33434 v p5 2 35839620 186482 00 00 00xr99999999 2p3 -s2p2 4p 2 3.03865 13.59175 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 5p 2 1.55425 6.26615 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 6p 2 0.99465 3.77305 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 7p 2 0.71245 2.60115 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 8p 2 0.54545 1.94185 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 9p 2 0.43645 1.52665 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 4f 1 -24.10465 0.00005 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 5f 1 -19.44165 0.00005 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 6f 1 -15.01285 0.00005 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 7f 1 -11.88755 0.00005 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 8f 1 -9.68465 0.00005 0.00005 0.00005 0.00005xr99999999 2p3 -s2p2 9f 1 -8.08025 0.00005 0.00005 0.00005 0.00005xr99999999 2p3 -sp3 4s 3 6.06245 10.13735 1.81595 0.00005 0.00005xr99999999 2p3 -sp3 5s 3 3.09925 4.33115 0.79705 0.00005 0.00005xr99999999 2p3 -sp3 6s 3 1.99555 2.53175 0.47135 0.00005 0.00005xr99999999 2p3 -sp3 7s 3 1.43635 1.71995 0.32235 0.00005 0.00005xr99999999 2p3 -sp3 8s 3 1.10325 1.27295 0.23965 0.00005 0.00005xr99999999 2p3 -sp3 9s 3 0.88425 0.99495 0.18785 0.00005 0.00005xr99999999 2p3 -sp3 3d 2 99.56775 75.45265 0.00005 0.00005 0.00005xr99999999 2p3 -sp3 4d 2 21.95345 19.51505 0.00005 0.00005 0.00005xr99999999 2p3 -sp3 5d 2 10.67815 9.93305 0.00005 0.00005 0.00005xr99999999 2p3 -sp3 6d 2 6.50605 6.19535 0.00005 0.00005 0.00005xr99999999 2p3 -sp3 7d 2 4.48345 4.33065 0.00005 0.00005 0.00005xr99999999 2p3 -sp3 8d 2 3.33635 3.25315 0.00005 0.00005 0.00005xr99999999 2p3 -sp3 9d 2 2.61405 2.56575 0.00005 0.00005 0.00005xr99999999 2p3 -p5 1 109.09695 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 4p -s2p2 5p 4 0.00005 10.99355 4.22765 4.88755 0.00005xr99999999 2p2 4p -s2p2 6p 4 0.00005 6.84105 2.85685 3.30535 0.00005xr99999999 2p2 4p -s2p2 7p 4 0.00005 4.84485 2.10975 2.43765 0.00005xr99999999 2p2 4p -s2p2 8p 4 0.00005 3.68815 1.64625 1.89945 0.00005xr99999999 2p2 4p -s2p2 9p 4 0.00005 2.94075 1.33375 1.53715 0.00005xr99999999 2p2 4p -s2p2 4f 2 11.54515 -0.70175 0.00005 0.00005 0.00005xr99999999 2p2 4p -s2p2 5f 2 4.15585 -1.14655 0.00005 0.00005 0.00005xr99999999 2p2 4p -s2p2 6f 2 1.64735 -1.11885 0.00005 0.00005 0.00005xr99999999 2p2 4p -s2p2 7f 2 0.67395 -0.99305 0.00005 0.00005 0.00005xr99999999 2p2 4p -s2p2 8f 2 0.24775 -0.86405 0.00005 0.00005 0.00005xr99999999 2p2 4p -s2p2 9f 2 0.04525 -0.75185 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 4s 2 42.89175 7.17405 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 5s 2 11.32215 3.92265 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 6s 2 6.47125 2.59735 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 7s 2 4.41755 1.89735 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 8s 2 3.29555 1.47005 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 9s 2 2.59445 1.18495 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 3d 2 9.92265 12.34335 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 4d 2 35.30985 7.06525 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 5d 2 17.35235 4.52585 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 6d 2 11.04775 3.19035 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 7d 2 7.88955 2.40375 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 8d 2 6.03005 1.89755 0.00005 0.00005 0.00005xr99999999 2p2 4p -sp3 9d 2 4.82005 1.54915 0.00005 0.00005 0.00005xr99999999 2p2 5p -s2p2 6p 4 0.00005 5.71365 1.69375 2.06855 0.00005xr99999999 2p2 5p -s2p2 7p 4 0.00005 4.03455 1.25715 1.54205 0.00005xr99999999 2p2 5p -s2p2 8p 4 0.00005 3.07185 0.98395 1.20945 0.00005xr99999999 2p2 5p -s2p2 9p 4 0.00005 2.45085 0.79865 0.98285 0.00005xr99999999 2p2 5p -s2p2 4f 2 3.54185 0.24145 0.00005 0.00005 0.00005xr99999999 2p2 5p -s2p2 5f 2 4.51575 -0.11515 0.00005 0.00005 0.00005xr99999999 2p2 5p -s2p2 6f 2 2.76205 -0.21875 0.00005 0.00005 0.00005xr99999999 2p2 5p -s2p2 7f 2 1.81695 -0.23395 0.00005 0.00005 0.00005xr99999999 2p2 5p -s2p2 8f 2 1.28785 -0.22215 0.00005 0.00005 0.00005xr99999999 2p2 5p -s2p2 9f 2 0.96695 -0.20315 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 4s 2 18.04555 4.17305 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 5s 2 18.73015 2.33255 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 6s 2 7.08705 1.55825 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 7s 2 4.58705 1.14355 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 8s 2 3.34855 0.88835 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 9s 2 2.60615 0.71725 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 3d 2 4.84345 5.57235 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 4d 2 8.79765 3.88755 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 5d 2 15.80575 2.60735 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 6d 2 9.69875 1.87865 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 7d 2 6.89685 1.43325 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 8d 2 5.26995 1.14035 0.00005 0.00005 0.00005xr99999999 2p2 5p -sp3 9d 2 4.21485 0.93585 0.00005 0.00005 0.00005xr99999999 2p2 6p -s2p2 7p 4 0.00005 3.21765 0.86325 1.07815 0.00005xr99999999 2p2 6p -s2p2 8p 4 0.00005 2.44185 0.67645 0.84785 0.00005xr99999999 2p2 6p -s2p2 9p 4 0.00005 1.94655 0.54965 0.69025 0.00005xr99999999 2p2 6p -s2p2 4f 2 2.20185 0.34265 0.00005 0.00005 0.00005xr99999999 2p2 6p -s2p2 5f 2 2.11265 0.07675 0.00005 0.00005 0.00005xr99999999 2p2 6p -s2p2 6f 2 2.18695 -0.02595 0.00005 0.00005 0.00005xr99999999 2p2 6p -s2p2 7f 2 1.59675 -0.06065 0.00005 0.00005 0.00005xr99999999 2p2 6p -s2p2 8f 2 1.20265 -0.07045 0.00005 0.00005 0.00005xr99999999 2p2 6p -s2p2 9f 2 0.94235 -0.07065 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 4s 2 11.08165 2.83695 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 5s 2 10.16145 1.60095 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 6s 2 9.72265 1.07385 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 7s 2 4.49155 0.78965 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 8s 2 3.13445 0.61415 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 9s 2 2.39355 0.49625 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 3d 2 3.01585 3.31045 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 4d 2 5.24465 2.55935 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 5d 2 5.60025 1.75255 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 6d 2 8.33615 1.27495 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 7d 2 5.73315 0.97795 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 8d 2 4.35275 0.78065 0.00005 0.00005 0.00005xr99999999 2p2 6p -sp3 9d 2 3.47315 0.64215 0.00005 0.00005 0.00005xr99999999 2p2 7p -s2p2 8p 4 0.00005 1.97065 0.50415 0.63735 0.00005xr99999999 2p2 7p -s2p2 9p 4 0.00005 1.56715 0.40985 0.51935 0.00005xr99999999 2p2 7p -s2p2 4f 2 1.56735 0.32265 0.00005 0.00005 0.00005xr99999999 2p2 7p -s2p2 5f 2 1.47675 0.11715 0.00005 0.00005 0.00005xr99999999 2p2 7p -s2p2 6f 2 1.26835 0.02885 0.00005 0.00005 0.00005xr99999999 2p2 7p -s2p2 7f 2 1.22475 -0.00645 0.00005 0.00005 0.00005xr99999999 2p2 7p -s2p2 8f 2 0.97245 -0.02055 0.00005 0.00005 0.00005xr99999999 2p2 7p -s2p2 9f 2 0.78305 -0.02575 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 4s 2 7.81265 2.10195 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 5s 2 6.97365 1.19225 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 6s 2 6.04445 0.80135 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 7s 2 5.67015 0.58995 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 8s 2 2.97995 0.45915 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 9s 2 2.19065 0.37115 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 3d 2 2.12425 2.26185 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 4d 2 3.64385 1.85985 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 5d 2 3.73745 1.28825 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 6d 2 3.61875 0.94205 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 7d 2 4.91215 0.72475 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 8d 2 3.62555 0.57955 0.00005 0.00005 0.00005xr99999999 2p2 7p -sp3 9d 2 2.87605 0.47735 0.00005 0.00005 0.00005xr99999999 2p2 8p -s2p2 9p 4 0.00005 1.28975 0.32165 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0.61285xr99999999 0.62095 p3 7d -sp3 9d 6 0.00005 0.52625 0.00005 1.60495 0.50075xr99999999 0.50975 p3 7d -p5 1 4.54105 0.00005 0.00005 0.00005 0.00005xr99999999 p3 8d -sp3 9d 6 0.00005 0.41775 0.00005 1.32705 0.39675xr99999999 0.40665 p3 8d -p5 1 3.38285 0.00005 0.00005 0.00005 0.00005xr99999999 p3 9d -p5 1 2.65265 0.00005 0.00005 0.00005 0.00005xr99999999 v s2p3 k v s2p3 -1.97004( 3p//r2// 3p)1.0000xr 100 100 v s2p3 k v s2p2 4p 1.37010( 3p//r2// 4p)-0.740xr 0 -1 v s2p3 k v s2p2 5p 0.46489( 3p//r2// 5p)-0.467xr 0 0 v s2p3 k v s2p2 6p 0.25746( 3p//r2// 6p)-0.378xr 0 0 v s2p3 k v s2p2 7p 0.17214( 3p//r2// 7p)-0.338xr 0 0 v s2p3 k v s2p2 8p 0.12683( 3p//r2// 8p)-0.316xr 0 0 v s2p3 k v s2p2 9p 0.09908( 3p//r2// 9p)-0.303xr 0 0 v s2p3 k v s2p2 4f -2.27131( 3p//r2// 4f)-1.000xr -42-100 v s2p3 k v s2p2 5f -1.22081( 3p//r2// 5f)-0.898xr -29 -98 v s2p3 k v s2p2 6f -0.76511( 3p//r2// 6f)-0.803xr -21 -96 v s2p3 k v s2p2 7f -0.53674( 3p//r2// 7f)-0.743xr -16 -94 v s2p3 k v s2p2 8f -0.40512( 3p//r2// 8f)-0.704xr -13 -93 v s2p3 k v s2p2 9f -0.32109( 3p//r2// 9f)-0.679xr -10 -93 v s2p3 k v s2p2 6h 0.00000( //r2// )0.0000xr 0 0 v s2p3 k v s2p2 7h 0.00000( //r2// )0.0000xr 0 0 v s2p3 k v s2p2 8h 0.00000( //r2// )0.0000xr 0 0 v s2p3 k v s2p2 9h 0.00000( //r2// )0.0000xr 0 0 v s2p3 k v s2p2 8k 0.00000( //r2// )0.0000xr 0 0 v s2p3 k v s2p2 9k 0.00000( //r2// )0.0000xr 0 0 v s2p3 k v sp3 4s 0.00000( //r2// )0.0000xr 0 0 v s2p3 k v sp3 5s 0.00000( //r2// )0.0000xr 0 0 v s2p3 k v sp3 6s 0.00000( //r2// )0.0000xr 0 0 v s2p3 k v sp3 7s 0.00000( //r2// )0.0000xr 0 0 v s2p3 k v sp3 8s 0.00000( //r2// )0.0000xr 0 0 v s2p3 k v sp3 9s 0.00000( //r2// )0.0000xr 0 0 v s2p3 k v sp3 3d 1.73671( 3s//r2// 3d)0.9964xr 89 94 v s2p3 k v sp3 4d -0.50544( 3s//r2// 4d)-0.490xr 11 28 v s2p3 k v sp3 5d -0.32576( 3s//r2// 5d)-0.508xr 3 15 v s2p3 k v sp3 6d -0.22605( 3s//r2// 6d)-0.493xr 1 10 v s2p3 k v sp3 7d -0.16847( 3s//r2// 7d)-0.480xr 1 7 v s2p3 k v sp3 8d -0.13205( 3s//r2// 8d)-0.471xr 0 5 v s2p3 k v sp3 9d -0.10729( 3s//r2// 9d)-0.465xr 0 4 v s2p3 k v p5 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v s2p3 1.37010( 4p//r2// 3p)-0.740xr 0 -1 v s2p2 4p k v s2p2 4p -10.20614( 4p//r2// 4p)1.0000xr 100 100 v s2p2 4p k v s2p2 5p 6.12831( 4p//r2// 5p)-0.659xr 0 0 v s2p2 4p k v s2p2 6p 1.79699( 4p//r2// 6p)-0.319xr 0 0 v s2p2 4p k v s2p2 7p 0.94085( 4p//r2// 7p)-0.231xr 0 0 v s2p2 4p k v s2p2 8p 0.61150( 4p//r2// 8p)-0.194xr 0 0 v s2p2 4p k v s2p2 9p 0.44348( 4p//r2// 9p)-0.174xr 0 0 v s2p2 4p k v s2p2 4f 13.66908( 4p//r2// 4f)0.9922xr 87 92 v s2p2 4p k v s2p2 5f -3.98815( 4p//r2// 5f)-0.437xr 8 18 v s2p2 4p k v s2p2 6f -2.71561( 4p//r2// 6f)-0.448xr -1 -4 v s2p2 4p k v s2p2 7f -1.87237( 4p//r2// 7f)-0.410xr -3 -14 v s2p2 4p k v s2p2 8f -1.38367( 4p//r2// 8f)-0.382xr -3 -19 v s2p2 4p k v s2p2 9f -1.07832( 4p//r2// 9f)-0.361xr -3 -21 v s2p2 4p k v s2p2 6h 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v s2p2 7h 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v s2p2 8h 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v s2p2 9h 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v s2p2 8k 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v s2p2 9k 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v sp3 4s 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v sp3 5s 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v sp3 6s 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v sp3 7s 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v sp3 8s 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v sp3 9s 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v sp3 3d 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v sp3 4d 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v sp3 5d 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v sp3 6d 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v sp3 7d 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v sp3 8d 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v sp3 9d 0.00000( //r2// )0.0000xr 0 0 v s2p2 4p k v p5 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v s2p3 0.46489( 5p//r2// 3p)-0.467xr 0 0 v s2p2 5p k v s2p2 4p 6.12831( 5p//r2// 4p)-0.659xr 0 0 v s2p2 5p k v s2p2 5p -31.97446( 5p//r2// 5p)1.0000xr 100 100 v s2p2 5p k v s2p2 6p 17.14923( 5p//r2// 6p)-0.606xr 0 0 v s2p2 5p k v s2p2 7p 4.70436( 5p//r2// 7p)-0.256xr 0 0 v s2p2 5p k v s2p2 8p 2.36669( 5p//r2// 8p)-0.173xr 0 0 v s2p2 5p k v s2p2 9p 1.50027( 5p//r2// 9p)-0.138xr 0 0 v s2p2 5p k v s2p2 4f -15.58174( 5p//r2// 4f)-0.820xr -27 -37 v s2p2 5p k v s2p2 5f 41.91402( 5p//r2// 5f)0.9973xr 87 96 v s2p2 5p k v s2p2 6f -5.70762( 5p//r2// 6f)-0.201xr 22 39 v s2p2 5p k v s2p2 7f -4.50163( 5p//r2// 7f)-0.228xr 9 22 v s2p2 5p k v s2p2 8f -3.24801( 5p//r2// 8f)-0.213xr 4 14 v s2p2 5p k v s2p2 9f -2.45755( 5p//r2// 9f)-0.199xr 2 9 v s2p2 5p k v s2p2 6h 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v s2p2 7h 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v s2p2 8h 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v s2p2 9h 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v s2p2 8k 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v s2p2 9k 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v sp3 4s 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v sp3 5s 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v sp3 6s 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v sp3 7s 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v sp3 8s 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v sp3 9s 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v sp3 3d 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v sp3 4d 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v sp3 5d 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v sp3 6d 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v sp3 7d 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v sp3 8d 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v sp3 9d 0.00000( //r2// )0.0000xr 0 0 v s2p2 5p k v p5 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v s2p3 0.25746( 6p//r2// 3p)-0.378xr 0 0 v s2p2 6p k v s2p2 4p 1.79699( 6p//r2// 4p)-0.319xr 0 0 v s2p2 6p k v s2p2 5p 17.14923( 6p//r2// 5p)-0.606xr 0 0 v s2p2 6p k v s2p2 6p -76.91810( 6p//r2// 6p)1.0000xr 100 100 v s2p2 6p k v s2p2 7p 38.32029( 6p//r2// 7p)-0.571xr 0 0 v s2p2 6p k v s2p2 8p 10.06334( 6p//r2// 8p)-0.221xr 0 0 v s2p2 6p k v s2p2 9p 4.91702( 6p//r2// 9p)-0.141xr 0 0 v s2p2 6p k v s2p2 4f 0.89358( 6p//r2// 4f)0.0701xr -4 -10 v s2p2 6p k v s2p2 5f -48.21111( 6p//r2// 5f)-0.852xr -36 -47 v s2p2 6p k v s2p2 6f 96.34832( 6p//r2// 6f)0.9880xr 84 95 v s2p2 6p k v s2p2 7f -6.96466( 6p//r2// 7f)-0.101xr 27 44 v s2p2 6p k v s2p2 8f -6.56000( 6p//r2// 8f)-0.133xr 13 30 v s2p2 6p k v s2p2 9f -4.91760( 6p//r2// 9f)-0.126xr 8 23 v s2p2 6p k v s2p2 6h 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v s2p2 7h 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v s2p2 8h 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v s2p2 9h 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v s2p2 8k 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v s2p2 9k 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v sp3 4s 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v sp3 5s 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v sp3 6s 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v sp3 7s 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v sp3 8s 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v sp3 9s 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v sp3 3d 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v sp3 4d 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v sp3 5d 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v sp3 6d 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v sp3 7d 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v sp3 8d 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v sp3 9d 0.00000( //r2// )0.0000xr 0 0 v s2p2 6p k v p5 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v s2p3 0.17214( 7p//r2// 3p)-0.338xr 0 0 v s2p2 7p k v s2p2 4p 0.94085( 7p//r2// 4p)-0.231xr 0 0 v s2p2 7p k v s2p2 5p 4.70436( 7p//r2// 5p)-0.256xr 0 0 v s2p2 7p k v s2p2 6p 38.32029( 7p//r2// 6p)-0.571xr 0 0 v s2p2 7p k v s2p2 7p -157.39301( 7p//r2// 7p)1.0000xr 100 100 v s2p2 7p k v s2p2 8p 74.48604( 7p//r2// 8p)-0.548xr 0 0 v s2p2 7p k v s2p2 9p 18.93356( 7p//r2// 9p)-0.198xr 0 0 v s2p2 7p k v s2p2 4f 0.31753( 7p//r2// 4f)0.0361xr -2 -6 v s2p2 7p k v s2p2 5f 2.31660( 7p//r2// 5f)0.0584xr -7 -14 v s2p2 7p k v s2p2 6f -112.38882( 7p//r2// 6f)-0.873xr -42 -54 v s2p2 7p k v s2p2 7f 188.82826( 7p//r2// 7f)0.9745xr 80 93 v s2p2 7p k v s2p2 8f -7.22311( 7p//r2// 8f)-0.051xr 28 45 v s2p2 7p k v s2p2 9f -8.82528( 7p//r2// 9f)-0.084xr 15 32 v s2p2 7p k v s2p2 6h 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v s2p2 7h 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v s2p2 8h 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v s2p2 9h 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v s2p2 8k 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v s2p2 9k 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v sp3 4s 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v sp3 5s 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v sp3 6s 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v sp3 7s 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v sp3 8s 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v sp3 9s 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v sp3 3d 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v sp3 4d 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v sp3 5d 0.00000( //r2// )0.0000xr 0 0 v s2p2 7p k v sp3 6d 0.00000( //r2// )0.0000xr 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4p 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 5p 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 6p 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 7p 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 8p 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 9p 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 4f 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 5f 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 6f 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 7f 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 8f 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 9f 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 6h 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 7h 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 8h 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 9h 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 8k 0.00000( //r2// )0.0000xr 0 0 v p5 k v s2p2 9k 0.00000( //r2// )0.0000xr 0 0 v p5 k v sp3 4s 0.00000( //r2// )0.0000xr 0 0 v p5 k v sp3 5s 0.00000( //r2// )0.0000xr 0 0 v p5 k v sp3 6s 0.00000( //r2// )0.0000xr 0 0 v p5 k v sp3 7s 0.00000( //r2// )0.0000xr 0 0 v p5 k v sp3 8s 0.00000( //r2// )0.0000xr 0 0 v p5 k v sp3 9s 0.00000( //r2// )0.0000xr 0 0 v p5 k v sp3 3d 0.00000( //r2// )0.0000xr 0 0 v p5 k v sp3 4d 0.00000( //r2// )0.0000xr 0 0 v p5 k v sp3 5d 0.00000( //r2// )0.0000xr 0 0 v p5 k v sp3 6d 0.00000( //r2// )0.0000xr 0 0 v p5 k v sp3 7d 0.00000( //r2// )0.0000xr 0 0 v p5 k v sp3 8d 0.00000( //r2// )0.0000xr 0 0 v p5 k v sp3 9d 0.00000( //r2// )0.0000xr 0 0 v p5 k v p5 -1.95392( 3p//r2// 3p)1.0000xr 100 100 v s2p2 4s 4 32529860 8267031 197392 907544 00xr99999999 v s2p2 5s 4 47038170 8336751 200232 286354 00xr99999999 v s2p2 6s 4 53461230 8355581 201072 130894 00xr99999999 v s2p2 7s 4 56896870 8362891 201412 71634 00xr99999999 v s2p2 8s 4 58953910 8366381 201572 43704 00xr99999999 v s2p2 9s 4 60283890 8368271 201662 28704 00xr99999999 v s2p2 3d 7 22431800 8070931 185672 7672 7555643xr99999999 9342574 5792564 v s2p2 4d 7 43696660 8303571 198542 2272 1986953xr99999999 784134 671884 v s2p2 5d 7 51864070 8340211 200322 1102 851533xr99999999 283064 266014 v s2p2 6d 7 55995600 8355071 201022 612 443083xr99999999 137804 135064 v s2p2 7d 7 58394320 8361921 201352 372 260133xr99999999 78244 78464 v s2p2 8d 7 59912500 8365491 201522 242 165963xr99999999 48964 49794 v s2p2 9d 7 60934270 8367541 201622 162 112493xr99999999 32794 33644 v s2p2 5g 7 53539780 8367791 201722 42 412253xr99999999 28644 20164 v s2p2 6g 7 56925640 8368241 201732 22 243083xr99999999 28034 19794 v s2p2 7g 7 58966840 8369191 201762 12 154943xr99999999 22354 15814 v s2p2 8g 7 60290510 8369931 201782 12 104593xr99999999 17094 12104 v s2p2 9g 7 61197070 8370461 201792 02 73813xr99999999 13034 9244 v s2p2 7i 7 59000310 8371901 201842 02 48683xr99999999 14 04 v s2p2 8i 7 60312310 8371901 201842 02 32613xr99999999 14 14 v s2p2 9i 7 61212150 8371901 201842 02 22913xr99999999 14 14 v sp4 4 16370520 8063611 185432 10916094 00xr99999999 v sp3 4p 9 52722440 8294011 198702 47712 2463753xr99999999 11178364 868644 737414 837994 v sp3 5p 9 64582090 8347151 200942 20262 955263xr99999999 11232614 298544 247684 299424 v sp3 6p 9 70064990 8364121 201702 10442 466763xr99999999 11250374 140724 115604 143604 v sp3 7p 9 73082890 8371101 202022 6092 263513xr99999999 11257764 78354 64024 80694 v sp3 8p 9 74925750 8374521 202172 3872 163683xr99999999 11261404 48364 39394 50084 v sp3 9p 9 76134510 8376411 202262 2612 108803xr99999999 11263424 32044 26044 33304 v sp3 4f 9 62390730 8329761 200562 232 1892423xr99999999 11217944 607354 919274 604464 v sp3 5f 9 68893760 8354371 201372 122 916003xr99999999 11241204 388994 550914 367584 v sp3 6f 9 72377890 8366561 201842 72 494893xr99999999 11253364 230974 317354 213434 v sp3 7f 9 74470050 8372161 202082 42 296593xr99999999 11259094 144794 195694 132234 v sp3 8f 9 75823960 8375051 202202 32 192033xr99999999 11262084 96194 128694 87234 v sp3 9f 9 76749570 8376691 202282 22 131663xr99999999 11263794 67034 89094 60514 2p2 4s -s2p2 5s 2 0.00005 4.95645 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 6s 2 0.00005 3.26695 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 7s 2 0.00005 2.37855 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 8s 2 0.00005 1.83885 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 9s 2 0.00005 1.47985 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 3d 2 3.96325 6.89315 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 4d 2 20.67435 6.72605 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 5d 2 12.66675 4.49795 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 6d 2 8.72555 3.22625 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 7d 2 6.48735 2.45355 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 8d 2 5.07795 1.94765 0.00005 0.00005 0.00005xr99999999 2p2 4s -s2p2 9d 2 4.12215 1.59585 0.00005 0.00005 0.00005xr99999999 2p2 4s -sp4 1 10.32365 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 4s -sp3 4p 2 42.97835 8.17535 0.00005 0.00005 0.00005xr99999999 2p2 4s -sp3 5p 2 17.91665 4.98135 0.00005 0.00005 0.00005xr99999999 2p2 4s -sp3 6p 2 10.97725 3.43185 0.00005 0.00005 0.00005xr99999999 2p2 4s -sp3 7p 2 7.73275 2.55735 0.00005 0.00005 0.00005xr99999999 2p2 4s -sp3 8p 2 5.87305 2.00565 0.00005 0.00005 0.00005xr99999999 2p2 4s -sp3 9p 2 4.67745 1.62995 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 6s 2 0.00005 1.92815 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 7s 2 0.00005 1.41895 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 8s 2 0.00005 1.10385 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 9s 2 0.00005 0.89195 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 3d 2 1.35215 2.57135 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 4d 2 5.66515 3.35935 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 5d 2 7.58075 2.36185 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 6d 2 5.65795 1.73375 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 7d 2 4.35025 1.33555 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 8d 2 3.46795 1.06875 0.00005 0.00005 0.00005xr99999999 2p2 5s -s2p2 9d 2 2.84715 0.88035 0.00005 0.00005 0.00005xr99999999 2p2 5s -sp4 1 4.41665 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 5s -sp3 4p 2 11.54455 4.33715 0.00005 0.00005 0.00005xr99999999 2p2 5s -sp3 5p 2 18.79155 2.75395 0.00005 0.00005 0.00005xr99999999 2p2 5s -sp3 6p 2 10.13425 1.93055 0.00005 0.00005 0.00005xr99999999 2p2 5s -sp3 7p 2 6.94335 1.45185 0.00005 0.00005 0.00005xr99999999 2p2 5s -sp3 8p 2 5.21255 1.14485 0.00005 0.00005 0.00005xr99999999 2p2 5s -sp3 9p 2 4.12585 0.93375 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 7s 2 0.00005 0.96735 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 8s 2 0.00005 0.75435 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 9s 2 0.00005 0.61045 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 3d 2 0.64915 1.36945 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 4d 2 3.27885 2.12825 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 5d 2 3.41045 1.52855 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 6d 2 3.61785 1.13275 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 7d 2 2.91935 0.87725 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 8d 2 2.37635 0.70425 0.00005 0.00005 0.00005xr99999999 2p2 6s -s2p2 9d 2 1.97355 0.58135 0.00005 0.00005 0.00005xr99999999 2p2 6s -sp4 1 2.58495 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 6s -sp3 4p 2 6.60465 2.82505 0.00005 0.00005 0.00005xr99999999 2p2 6s -sp3 5p 2 7.18575 1.82415 0.00005 0.00005 0.00005xr99999999 2p2 6s -sp3 6p 2 9.75805 1.28785 0.00005 0.00005 0.00005xr99999999 2p2 6s -sp3 7p 2 6.04055 0.97215 0.00005 0.00005 0.00005xr99999999 2p2 6s -sp3 8p 2 4.43065 0.76835 0.00005 0.00005 0.00005xr99999999 2p2 6s -sp3 9p 2 3.47155 0.62755 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 8s 2 0.00005 0.55935 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 9s 2 0.00005 0.45305 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 3d 2 0.37715 0.87195 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 4d 2 2.23795 1.51645 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 5d 2 2.29445 1.10165 0.00005 0.00005 0.00005xr99999999 2p2 7s -s2p2 6d 2 2.07975 0.82055 0.00005 0.00005 0.00005xr99999999 2p2 7s 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0.00005xr99999999 2p2 8s -s2p2 7d 2 1.33595 0.49185 0.00005 0.00005 0.00005xr99999999 2p2 8s -s2p2 8d 2 1.25055 0.39585 0.00005 0.00005 0.00005xr99999999 2p2 8s -s2p2 9d 2 1.07435 0.32745 0.00005 0.00005 0.00005xr99999999 2p2 8s -sp4 1 1.30155 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 8s -sp3 4p 2 3.36445 1.57445 0.00005 0.00005 0.00005xr99999999 2p2 8s -sp3 5p 2 3.39925 1.03085 0.00005 0.00005 0.00005xr99999999 2p2 8s -sp3 6p 2 3.17215 0.73205 0.00005 0.00005 0.00005xr99999999 2p2 8s -sp3 7p 2 3.00955 0.55435 0.00005 0.00005 0.00005xr99999999 2p2 8s -sp3 8p 2 3.60255 0.43885 0.00005 0.00005 0.00005xr99999999 2p2 8s -sp3 9p 2 2.58245 0.35885 0.00005 0.00005 0.00005xr99999999 2p2 9s -s2p2 3d 2 0.17545 0.46595 0.00005 0.00005 0.00005xr99999999 2p2 9s -s2p2 4d 2 1.30995 0.92325 0.00005 0.00005 0.00005xr99999999 2p2 9s -s2p2 5d 2 1.33405 0.67835 0.00005 0.00005 0.00005xr99999999 2p2 9s -s2p2 6d 2 1.18775 0.50775 0.00005 0.00005 0.00005xr99999999 2p2 9s -s2p2 7d 2 1.03285 0.39535 0.00005 0.00005 0.00005xr99999999 2p2 9s -s2p2 8d 2 0.90185 0.31845 0.00005 0.00005 0.00005xr99999999 2p2 9s -s2p2 9d 2 0.83035 0.26345 0.00005 0.00005 0.00005xr99999999 2p2 9s -sp4 1 1.01785 0.00005 0.00005 0.00005 0.00005xr99999999 2p2 9s -sp3 4p 2 2.64865 1.26405 0.00005 0.00005 0.00005xr99999999 2p2 9s -sp3 5p 2 2.64615 0.83045 0.00005 0.00005 0.00005xr99999999 2p2 9s -sp3 6p 2 2.42315 0.59055 0.00005 0.00005 0.00005xr99999999 2p2 9s -sp3 7p 2 2.21375 0.44745 0.00005 0.00005 0.00005xr99999999 2p2 9s -sp3 8p 2 2.08415 0.35445 0.00005 0.00005 0.00005xr99999999 2p2 9s -sp3 9p 2 2.42125 0.28995 0.00005 0.00005 0.00005xr99999999 2p2 3d -s2p2 4d 4 0.00005 16.73275 19.95335 14.28995 0.00005xr99999999 2p2 3d -s2p2 5d 4 0.00005 8.37225 9.56195 7.11185 0.00005xr99999999 2p2 3d -s2p2 6d 4 0.00005 5.22135 5.77855 4.37775 0.00005xr99999999 2p2 3d -s2p2 7d 4 0.00005 3.66055 3.96075 3.03315 0.00005xr99999999 2p2 3d -s2p2 8d 4 0.00005 2.75845 2.93625 2.26435 0.00005xr99999999 2p2 3d -s2p2 9d 4 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0.00005xr99999999 p3 4p -sp3 7f 2 0.66215 -0.99165 0.00005 0.00005 0.00005xr99999999 p3 4p -sp3 8f 2 0.23855 -0.86265 0.00005 0.00005 0.00005xr99999999 p3 4p -sp3 9f 2 0.03795 -0.75055 0.00005 0.00005 0.00005xr99999999 p3 5p -sp3 6p 6 0.00005 2.04325 0.00005 5.71185 1.68865xr99999999 2.06485 p3 5p -sp3 7p 6 0.00005 1.51795 0.00005 4.03265 1.25315xr99999999 1.53905 p3 5p -sp3 8p 6 0.00005 1.18845 0.00005 3.07035 0.98075xr99999999 1.20705 p3 5p -sp3 9p 6 0.00005 0.96485 0.00005 2.44975 0.79615xr99999999 0.98095 p3 5p -sp3 4f 2 3.55245 0.24495 0.00005 0.00005 0.00005xr99999999 p3 5p -sp3 5f 2 4.52265 -0.11345 0.00005 0.00005 0.00005xr99999999 p3 5p -sp3 6f 2 2.75925 -0.21725 0.00005 0.00005 0.00005xr99999999 p3 5p -sp3 7f 2 1.81285 -0.23255 0.00005 0.00005 0.00005xr99999999 p3 5p -sp3 8f 2 1.28415 -0.22085 0.00005 0.00005 0.00005xr99999999 p3 5p -sp3 9f 2 0.96385 -0.20205 0.00005 0.00005 0.00005xr99999999 p3 6p -sp3 7p 6 0.00005 1.04915 0.00005 3.21435 0.85985xr99999999 1.07525 p3 6p -sp3 8p 6 0.00005 0.82315 0.00005 2.43925 0.67385xr99999999 0.84555 p3 6p -sp3 9p 6 0.00005 0.66915 0.00005 1.94445 0.54745xr99999999 0.68835 p3 6p -sp3 4f 2 2.20885 0.34585 0.00005 0.00005 0.00005xr99999999 p3 6p -sp3 5f 2 2.11595 0.07815 0.00005 0.00005 0.00005xr99999999 p3 6p -sp3 6f 2 2.18705 -0.02495 0.00005 0.00005 0.00005xr99999999 p3 6p -sp3 7f 2 1.59485 -0.05985 0.00005 0.00005 0.00005xr99999999 p3 6p -sp3 8f 2 1.20045 -0.06965 0.00005 0.00005 0.00005xr99999999 p3 6p -sp3 9f 2 0.94035 -0.06995 0.00005 0.00005 0.00005xr99999999 p3 7p -sp3 8p 6 0.00005 0.61545 0.00005 1.96825 0.50215xr99999999 0.63555 p3 7p -sp3 9p 6 0.00005 0.50075 0.00005 1.56515 0.40815xr99999999 0.51785 p3 7p -sp3 4f 2 1.57305 0.32535 0.00005 0.00005 0.00005xr99999999 p3 7p -sp3 5f 2 1.47935 0.11825 0.00005 0.00005 0.00005xr99999999 p3 7p -sp3 6f 2 1.26845 0.02955 0.00005 0.00005 0.00005xr99999999 p3 7p -sp3 7f 2 1.22395 -0.00585 0.00005 0.00005 0.00005xr99999999 p3 7p -sp3 8f 2 0.97115 -0.02005 0.00005 0.00005 0.00005xr99999999 p3 7p -sp3 9f 2 0.78175 -0.02535 0.00005 0.00005 0.00005xr99999999 p3 8p -sp3 9p 6 0.00005 0.39375 0.00005 1.28805 0.32035xr99999999 0.40845 p3 8p -sp3 4f 2 1.20425 0.28645 0.00005 0.00005 0.00005xr99999999 p3 8p -sp3 5f 2 1.12455 0.12055 0.00005 0.00005 0.00005xr99999999 p3 8p -sp3 6f 2 0.94975 0.04545 0.00005 0.00005 0.00005xr99999999 p3 8p -sp3 7f 2 0.80695 0.01355 0.00005 0.00005 0.00005xr99999999 p3 8p -sp3 8f 2 0.75655 -0.00085 0.00005 0.00005 0.00005xr99999999 p3 8p -sp3 9f 2 0.62905 -0.00745 0.00005 0.00005 0.00005xr99999999 p3 9p -sp3 4f 2 0.96455 0.24915 0.00005 0.00005 0.00005xr99999999 p3 9p -sp3 5f 2 0.89775 0.11255 0.00005 0.00005 0.00005xr99999999 p3 9p -sp3 6f 2 0.75335 0.04865 0.00005 0.00005 0.00005xr99999999 p3 9p -sp3 7f 2 0.63285 0.02045 0.00005 0.00005 0.00005xr99999999 p3 9p -sp3 8f 2 0.54235 0.00715 0.00005 0.00005 0.00005xr99999999 p3 9p -sp3 9f 2 0.50185 0.00055 0.00005 0.00005 0.00005xr99999999 p3 4f -sp3 5f 6 0.00005 4.83645 0.00005 10.31675 7.06435xr99999999 4.67345 p3 4f -sp3 6f 6 0.00005 3.70255 0.00005 6.77725 5.31285xr99999999 3.52245 p3 4f -sp3 7f 6 0.00005 2.91695 0.00005 4.92295 4.14355xr99999999 2.74975 p3 4f -sp3 8f 6 0.00005 2.36885 0.00005 3.80725 3.34385xr99999999 2.22005 p3 4f -sp3 9f 6 0.00005 1.97235 0.00005 3.07025 2.77235xr99999999 1.84105 p3 5f -sp3 6f 6 0.00005 2.99345 0.00005 6.07715 4.17365xr99999999 2.79485 p3 5f -sp3 7f 6 0.00005 2.36535 0.00005 4.46065 3.26865xr99999999 2.19265 p3 5f -sp3 8f 6 0.00005 1.92455 0.00005 3.47175 2.64465xr99999999 1.77585 p3 5f -sp3 9f 6 0.00005 1.60445 0.00005 2.81125 2.19645xr99999999 1.47575 p3 6f -sp3 7f 6 0.00005 1.82795 0.00005 3.62805 2.49065xr99999999 1.67885 p3 6f -sp3 8f 6 0.00005 1.48885 0.00005 2.83375 2.01785xr99999999 1.36185 p3 6f -sp3 9f 6 0.00005 1.24195 0.00005 2.30055 1.67735xr99999999 1.13305 p3 7f -sp3 8f 6 0.00005 1.18005 0.00005 2.30945 1.58665xr99999999 1.07375 p3 7f -sp3 9f 6 0.00005 0.98475 0.00005 1.87735 1.31955xr99999999 0.89385 p3 8f -sp3 9f 6 0.00005 0.80295 0.00005 1.55635 1.07075xr99999999 0.72655 v s2p2 4s k v s2p2 4s -1.86520( 3p//r2// 3p)1.0000xr 100 100 v s2p2 4s k v s2p2 5s 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v s2p2 6s 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v s2p2 7s 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v s2p2 8s 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v s2p2 9s 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v s2p2 3d -2.35224( 4s//r2// 3d)-0.870xr -23 -37 v s2p2 4s k v s2p2 4d 8.80948( 4s//r2// 4d)0.9988xr 88 98 v s2p2 4s k v s2p2 5d -0.80671( 4s//r2// 5d)-0.149xr 26 52 v s2p2 4s k v s2p2 6d -0.70207( 4s//r2// 6d)-0.196xr 13 39 v s2p2 4s k v s2p2 7d -0.52833( 4s//r2// 7d)-0.197xr 8 33 v s2p2 4s k v s2p2 8d -0.41027( 4s//r2// 8d)-0.194xr 6 30 v s2p2 4s k v s2p2 9d -0.33004( 4s//r2// 9d)-0.190xr 4 27 v s2p2 4s k v s2p2 5g 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v s2p2 6g 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v s2p2 7g 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v s2p2 8g 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v s2p2 9g 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v s2p2 7i 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v s2p2 8i 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v s2p2 9i 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v sp4 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v sp3 4p 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v sp3 5p 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v sp3 6p 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v sp3 7p 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v sp3 8p 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v sp3 9p 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v sp3 4f 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v sp3 5f 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v sp3 6f 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v sp3 7f 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v sp3 8f 0.00000( //r2// )0.0000xr 0 0 v s2p2 4s k v sp3 9f 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v s2p2 4s 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v s2p2 5s -1.83496( 3p//r2// 3p)1.0000xr 100 100 v 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s2p2 9i 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v sp4 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v sp3 4p 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v sp3 5p 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v sp3 6p 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v sp3 7p 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v sp3 8p 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v sp3 9p 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v sp3 4f 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v sp3 5f 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v sp3 6f 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v sp3 7f 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v sp3 8f 0.00000( //r2// )0.0000xr 0 0 v s2p2 5s k v sp3 9f 0.00000( //r2// )0.0000xr 0 0 v s2p2 6s k v s2p2 4s 0.00000( //r2// )0.0000xr 0 0 v s2p2 6s k v s2p2 5s 0.00000( //r2// )0.0000xr 0 0 v s2p2 6s k v s2p2 6s -1.82703( 3p//r2// 3p)1.0000xr 100 100 v s2p2 6s k v s2p2 7s 0.00000( //r2// )0.0000xr 0 0 v s2p2 6s k v s2p2 8s 0.00000( //r2// )0.0000xr 0 0 v s2p2 6s k v s2p2 9s 0.00000( 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0 0 v s2p2 6s k v sp3 6p 0.00000( //r2// )0.0000xr 0 0 v s2p2 6s k v sp3 7p 0.00000( //r2// )0.0000xr 0 0 v s2p2 6s k v sp3 8p 0.00000( //r2// )0.0000xr 0 0 v s2p2 6s k v sp3 9p 0.00000( //r2// )0.0000xr 0 0 v s2p2 6s k v sp3 4f 0.00000( //r2// )0.0000xr 0 0 v s2p2 6s k v sp3 5f 0.00000( //r2// )0.0000xr 0 0 v s2p2 6s k v sp3 6f 0.00000( //r2// )0.0000xr 0 0 v s2p2 6s k v sp3 7f 0.00000( //r2// )0.0000xr 0 0 v s2p2 6s k v sp3 8f 0.00000( //r2// )0.0000xr 0 0 v s2p2 6s k v sp3 9f 0.00000( //r2// )0.0000xr 0 0 v s2p2 7s k v s2p2 4s 0.00000( //r2// )0.0000xr 0 0 v s2p2 7s k v s2p2 5s 0.00000( //r2// )0.0000xr 0 0 v s2p2 7s k v s2p2 6s 0.00000( //r2// )0.0000xr 0 0 v s2p2 7s k v s2p2 7s -1.82395( 3p//r2// 3p)1.0000xr 100 100 v s2p2 7s k v s2p2 8s 0.00000( //r2// )0.0000xr 0 0 v s2p2 7s k v s2p2 9s 0.00000( //r2// )0.0000xr 0 0 v s2p2 7s k v s2p2 3d -0.01521( 7s//r2// 3d)-0.021xr -1 -10 v s2p2 7s k v s2p2 4d 0.20407( 7s//r2// 4d)0.0331xr -5 -15 v s2p2 7s k v s2p2 5d 1.68275( 7s//r2// 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8f//r2// 7p)-0.052xr 28 45 v sp3 8f k v sp3 8p 332.98965( 8f//r2// 8p)0.9616xr 77 91 v sp3 8f k v sp3 9p -398.78943( 8f//r2// 9p)-0.900xr -51 -64 v sp3 8f k v sp3 4f 0.68533( 8f//r2// 4f)-0.108xr 0 -2 v sp3 8f k v sp3 5f 3.44810( 8f//r2// 5f)-0.135xr 0 -1 v sp3 8f k v sp3 6f 16.23224( 8f//r2// 6f)-0.203xr 0 0 v sp3 8f k v sp3 7f 127.36699( 8f//r2// 7f)-0.565xr 0 0 v sp3 8f k v sp3 8f -462.38293( 8f//r2// 8f)1.0000xr 100 100 v sp3 8f k v sp3 9f 217.06703( 8f//r2// 9f)-0.543xr 0 0 v sp3 9f k v s2p2 4s 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 5s 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 6s 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 7s 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 8s 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 9s 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 3d 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 4d 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 5d 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 6d 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 7d 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 8d 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 9d 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 5g 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 6g 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 7g 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 8g 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 9g 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 7i 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 8i 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v s2p2 9i 0.00000( //r2// )0.0000xr 0 0 v sp3 9f k v sp4 -0.31868( 9f//r2// 3p)-0.678xr -10 -93 v sp3 9f k v sp3 4p -1.07638( 9f//r2// 4p)-0.363xr -3 -22 v sp3 9f k v sp3 5p -2.45550( 9f//r2// 5p)-0.199xr 2 9 v sp3 9f k v sp3 6p -4.92235( 9f//r2// 6p)-0.126xr 8 23 v sp3 9f k v sp3 7p -8.86233( 9f//r2// 7p)-0.085xr 15 32 v sp3 9f k v sp3 8p -5.98163( 9f//r2// 8p)-0.023xr 28 45 v sp3 9f k v sp3 9p 545.55145( 9f//r2// 9p)0.9485xr 73 89 v sp3 9f k v sp3 4f 0.46444( 9f//r2// 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)0.0000xr 0 0 v sp3 9d k v s2p2 8d 0.00000( //r1// )0.0000xr 0 0 v sp3 9d k v s2p2 9d 0.00000( //r1// )0.0000xr 0 0 v sp3 9d k v s2p2 5g 0.00000( //r1// )0.0000xr 0 0 v sp3 9d k v s2p2 6g 0.00000( //r1// )0.0000xr 0 0 v sp3 9d k v s2p2 7g 0.00000( //r1// )0.0000xr 0 0 v sp3 9d k v s2p2 8g 0.00000( //r1// )0.0000xr 0 0 v sp3 9d k v s2p2 9g 0.00000( //r1// )0.0000xr 0 0 v sp3 9d k v s2p2 7i 0.00000( //r1// )0.0000xr 0 0 v sp3 9d k v s2p2 8i 0.00000( //r1// )0.0000xr 0 0 v sp3 9d k v s2p2 9i 0.00000( //r1// )0.0000xr 0 0 v sp3 9d k v sp4 0.06737( 9d//r1// 3p)0.3125xr 0 3 v sp3 9d k v sp3 4p 0.09307( 9d//r1// 4p)0.1157xr -2 -13 v sp3 9d k v sp3 5p 0.10396( 9d//r1// 5p)0.0509xr -4 -18 v sp3 9d k v sp3 6p 0.08503( 9d//r1// 6p)0.0197xr -7 -21 v sp3 9d k v sp3 7p -0.05300( 9d//r1// 7p)-0.006xr -12 -25 v sp3 9d k v sp3 8p -0.95965( 9d//r1// 8p)-0.062xr -23 -34 v sp3 9d k v sp3 9p -26.02057( 9d//r1// 9p)-0.972xr -85 -96 v sp3 9d k v sp3 4f -0.11281( 9d//r1// 4f)0.0818xr 0 2 v sp3 9d k v sp3 5f -0.31654( 9d//r1// 5f)0.0937xr 0 2 v sp3 9d k v sp3 6f -0.80394( 9d//r1// 6f)0.1164xr 1 4 v sp3 9d k v sp3 7f -2.31996( 9d//r1// 7f)0.1775xr 4 7 v sp3 9d k v sp3 8f -12.21000( 9d//r1// 8f)0.4996xr 15 20 v sp3 9d k v sp3 9f 37.21695( 9d//r1// 9f)-0.998xr -97 -99 v p5 k v s2p2 4s 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 5s 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 6s 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 7s 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 8s 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 9s 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 3d 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 4d 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 5d 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 6d 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 7d 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 8d 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 9d 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 5g 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 6g 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 7g 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 8g 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 9g 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 7i 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 8i 0.00000( //r1// )0.0000xr 0 0 v p5 k v s2p2 9i 0.00000( //r1// )0.0000xr 0 0 v p5 k v sp4 -1.19452( 3p//r1// 3s)-1.000xr -98 -99 v p5 k v sp3 4p 0.00000( //r1// )0.0000xr 0 0 v p5 k v sp3 5p 0.00000( //r1// )0.0000xr 0 0 v p5 k v sp3 6p 0.00000( //r1// )0.0000xr 0 0 v p5 k v sp3 7p 0.00000( //r1// )0.0000xr 0 0 v p5 k v sp3 8p 0.00000( //r1// )0.0000xr 0 0 v p5 k v sp3 9p 0.00000( //r1// )0.0000xr 0 0 v p5 k v sp3 4f 0.00000( //r1// )0.0000xr 0 0 v p5 k v sp3 5f 0.00000( //r1// )0.0000xr 0 0 v p5 k v sp3 6f 0.00000( //r1// )0.0000xr 0 0 v p5 k v sp3 7f 0.00000( //r1// )0.0000xr 0 0 v p5 k v sp3 8f 0.00000( //r1// )0.0000xr 0 0 v p5 k v sp3 9f 0.00000( //r1// )0.0000xr 0 0 -99999999.