1 83232832320 1 3 1000.0000 7 0 0 ii s2p3 s ii s2p3 -4.70260( 3p//r2// 3p) ii s2p3 s ii s2p2 4p 3.36014( 3p//r2// 4p) ii s2p3 s ii s2p2 5p 1.31107( 3p//r2// 5p) ii s2p3 s ii s2p2 6p 0.76512( 3p//r2// 6p) ii s2p3 s ii s2p2 7p 0.52246( 3p//r2// 7p) ii s2p3 s ii s2p2 8p 0.38822( 3p//r2// 8p) ii s2p3 s ii s2p2 9p 0.30416( 3p//r2// 9p) ii s2p3 s ii s2p2 4f -2.81788( 3p//r2// 4f) ii s2p3 s ii s2p2 5f -2.13747( 3p//r2// 5f) ii s2p3 s ii s2p2 6f -1.63999( 3p//r2// 6f) ii s2p3 s ii s2p2 7f -1.30029( 3p//r2// 7f) ii s2p3 s ii s2p2 8f -1.06109( 3p//r2// 8f) ii s2p3 s ii s2p2 9f -0.88635( 3p//r2// 9f) ii s2p3 s ii s2p2 6h 0.00000( //r2// ) ii s2p3 s ii s2p2 7h 0.00000( //r2// ) ii s2p3 s ii s2p2 8h 0.00000( //r2// ) ii s2p3 s ii s2p2 9h 0.00000( //r2// ) ii s2p3 s ii s2p2 8k 0.00000( //r2// ) ii s2p3 s ii s2p2 9k 0.00000( //r2// ) ii s2p3 s ii sp3 4s 0.00000( //r2// ) ii s2p3 s ii sp3 5s 0.00000( //r2// ) ii s2p3 s ii sp3 6s 0.00000( //r2// ) ii s2p3 s ii sp3 7s 0.00000( //r2// ) ii s2p3 s ii sp3 8s 0.00000( //r2// ) ii s2p3 s ii sp3 9s 0.00000( //r2// ) ii s2p3 s ii sp3 3d 3.80387( 3s//r2// 3d) ii s2p3 s ii sp3 4d 0.63323( 3s//r2// 4d) ii s2p3 s ii sp3 5d 0.23707( 3s//r2// 5d) ii s2p3 s ii sp3 6d 0.12093( 3s//r2// 6d) ii s2p3 s ii sp3 7d 0.07310( 3s//r2// 7d) ii s2p3 s ii sp3 8d 0.04921( 3s//r2// 8d) ii s2p3 s ii sp3 9d 0.03566( 3s//r2// 9d) ii s2p2 4p s ii s2p3 3.36014( 4p//r2// 3p) ii s2p2 4p s ii s2p2 4p -36.78530( 4p//r2// 4p) ii s2p2 4p s ii s2p2 5p 23.49088( 4p//r2// 5p) ii s2p2 4p s ii s2p2 6p 7.08351( 4p//r2// 6p) ii s2p2 4p s ii s2p2 7p 3.75643( 4p//r2// 7p) ii s2p2 4p s ii s2p2 8p 2.45681( 4p//r2// 8p) ii s2p2 4p s ii s2p2 9p 1.78735( 4p//r2// 9p) ii s2p2 4p s ii s2p2 4f 53.28020( 4p//r2// 4f) ii s2p2 4p s ii s2p2 5f 9.74715( 4p//r2// 5f) ii s2p2 4p s ii s2p2 6f 2.87779( 4p//r2// 6f) ii s2p2 4p s ii s2p2 7f 0.92531( 4p//r2// 7f) ii s2p2 4p s ii s2p2 8f 0.20525( 4p//r2// 8f) ii s2p2 4p s ii s2p2 9f -0.09762( 4p//r2// 9f) ii s2p2 4p s ii s2p2 6h 0.00000( //r2// ) ii s2p2 4p s ii s2p2 7h 0.00000( //r2// ) ii s2p2 4p s ii s2p2 8h 0.00000( //r2// ) ii s2p2 4p s ii s2p2 9h 0.00000( //r2// ) ii s2p2 4p s ii s2p2 8k 0.00000( //r2// ) ii s2p2 4p s ii s2p2 9k 0.00000( //r2// ) ii s2p2 4p s ii sp3 4s 0.00000( //r2// ) ii s2p2 4p s ii sp3 5s 0.00000( //r2// ) ii s2p2 4p s ii sp3 6s 0.00000( //r2// ) ii s2p2 4p s ii sp3 7s 0.00000( //r2// ) ii s2p2 4p s ii sp3 8s 0.00000( //r2// ) ii s2p2 4p s ii sp3 9s 0.00000( //r2// ) ii s2p2 4p s ii sp3 3d 0.00000( //r2// ) ii s2p2 4p s ii sp3 4d 0.00000( //r2// ) ii s2p2 4p s ii sp3 5d 0.00000( //r2// ) ii s2p2 4p s ii sp3 6d 0.00000( //r2// ) ii s2p2 4p s ii sp3 7d 0.00000( //r2// ) ii s2p2 4p s ii sp3 8d 0.00000( //r2// ) ii s2p2 4p s ii sp3 9d 0.00000( //r2// ) ii s2p2 5p s ii s2p3 1.31107( 5p//r2// 3p) ii s2p2 5p s ii s2p2 4p 23.49088( 5p//r2// 4p) ii s2p2 5p s ii s2p2 5p -133.72444( 5p//r2// 5p) ii s2p2 5p s ii s2p2 6p 74.95765( 5p//r2// 6p) ii s2p2 5p s ii s2p2 7p 20.87612( 5p//r2// 7p) ii s2p2 5p s ii s2p2 8p 10.58769( 5p//r2// 8p) ii s2p2 5p s ii s2p2 9p 6.74186( 5p//r2// 9p) ii s2p2 5p s ii s2p2 4f -122.88290( 5p//r2// 4f) ii s2p2 5p s ii s2p2 5f 142.70493( 5p//r2// 5f) ii s2p2 5p s ii s2p2 6f 35.89249( 5p//r2// 6f) ii s2p2 5p s ii s2p2 7f 15.03393( 5p//r2// 7f) ii s2p2 5p s ii s2p2 8f 7.97827( 5p//r2// 8f) ii s2p2 5p s ii s2p2 9f 4.85194( 5p//r2// 9f) ii s2p2 5p s ii s2p2 6h 0.00000( //r2// ) ii s2p2 5p s ii s2p2 7h 0.00000( //r2// ) ii s2p2 5p s ii s2p2 8h 0.00000( //r2// ) ii s2p2 5p s ii s2p2 9h 0.00000( //r2// ) ii s2p2 5p s ii s2p2 8k 0.00000( //r2// ) ii s2p2 5p s ii s2p2 9k 0.00000( //r2// ) ii s2p2 5p s ii sp3 4s 0.00000( //r2// ) ii s2p2 5p s ii sp3 5s 0.00000( //r2// ) ii s2p2 5p s ii sp3 6s 0.00000( //r2// ) ii s2p2 5p s ii sp3 7s 0.00000( //r2// ) ii s2p2 5p s ii sp3 8s 0.00000( //r2// ) ii s2p2 5p s ii sp3 9s 0.00000( //r2// ) ii s2p2 5p s ii sp3 3d 0.00000( //r2// ) ii s2p2 5p s ii sp3 4d 0.00000( //r2// ) ii s2p2 5p s ii sp3 5d 0.00000( //r2// ) ii s2p2 5p s ii sp3 6d 0.00000( //r2// ) ii s2p2 5p s ii sp3 7d 0.00000( //r2// ) ii s2p2 5p s ii sp3 8d 0.00000( //r2// ) ii s2p2 5p s ii sp3 9d 0.00000( //r2// ) ii s2p2 6p s ii s2p3 0.76512( 6p//r2// 3p) ii s2p2 6p s ii s2p2 4p 7.08351( 6p//r2// 4p) ii s2p2 6p s ii s2p2 5p 74.95765( 6p//r2// 5p) ii s2p2 6p s ii s2p2 6p -349.34382( 6p//r2// 6p) ii s2p2 6p s ii s2p2 7p 179.64830( 6p//r2// 7p) ii s2p2 6p s ii s2p2 8p 47.67232( 6p//r2// 8p) ii s2p2 6p s ii s2p2 9p 23.44156( 6p//r2// 9p) ii s2p2 6p s ii s2p2 4f 48.99035( 6p//r2// 4f) ii s2p2 6p s ii s2p2 5f -376.96273( 6p//r2// 5f) ii s2p2 6p s ii s2p2 6f 302.88447( 6p//r2// 6f) ii s2p2 6p s ii s2p2 7f 82.82846( 6p//r2// 7f) ii s2p2 6p s ii s2p2 8f 37.45834( 6p//r2// 8f) ii s2p2 6p s ii s2p2 9f 21.33026( 6p//r2// 9f) ii s2p2 6p s ii s2p2 6h 0.00000( //r2// ) ii s2p2 6p s ii s2p2 7h 0.00000( //r2// ) ii s2p2 6p s ii s2p2 8h 0.00000( //r2// ) ii s2p2 6p s ii s2p2 9h 0.00000( //r2// ) ii s2p2 6p s ii s2p2 8k 0.00000( //r2// ) ii s2p2 6p s ii s2p2 9k 0.00000( //r2// ) ii s2p2 6p s ii sp3 4s 0.00000( //r2// ) ii s2p2 6p s ii sp3 5s 0.00000( //r2// ) ii s2p2 6p s ii sp3 6s 0.00000( //r2// ) ii s2p2 6p s ii sp3 7s 0.00000( //r2// ) ii s2p2 6p s ii sp3 8s 0.00000( //r2// ) ii s2p2 6p s ii sp3 9s 0.00000( //r2// ) ii s2p2 6p s ii sp3 3d 0.00000( //r2// ) ii s2p2 6p s ii sp3 4d 0.00000( //r2// ) ii s2p2 6p s ii sp3 5d 0.00000( //r2// ) ii s2p2 6p s ii sp3 6d 0.00000( //r2// ) ii s2p2 6p s ii sp3 7d 0.00000( //r2// ) ii s2p2 6p s ii sp3 8d 0.00000( //r2// ) ii s2p2 6p s ii sp3 9d 0.00000( //r2// ) ii s2p2 7p s ii s2p3 0.52246( 7p//r2// 3p) ii s2p2 7p s ii s2p2 4p 3.75643( 7p//r2// 4p) ii s2p2 7p s ii s2p2 5p 20.87612( 7p//r2// 5p) ii s2p2 7p s ii s2p2 6p 179.64830( 7p//r2// 6p) ii s2p2 7p s ii s2p2 7p -754.14479( 7p//r2// 7p) ii s2p2 7p s ii s2p2 8p 365.33324( 7p//r2// 8p) ii s2p2 7p s ii s2p2 9p 93.61707( 7p//r2// 9p) ii s2p2 7p s ii s2p2 4f 10.20896( 7p//r2// 4f) ii s2p2 7p s ii s2p2 5f 154.06547( 7p//r2// 5f) ii s2p2 7p s ii s2p2 6f -864.12779( 7p//r2// 6f) ii s2p2 7p s ii s2p2 7f 564.24018( 7p//r2// 7f) ii s2p2 7p s ii s2p2 8f 158.51831( 7p//r2// 8f) ii s2p2 7p s ii s2p2 9f 73.66164( 7p//r2// 9f) ii s2p2 7p s ii s2p2 6h 0.00000( //r2// ) ii s2p2 7p s ii s2p2 7h 0.00000( //r2// ) ii s2p2 7p s ii s2p2 8h 0.00000( //r2// ) ii s2p2 7p s ii s2p2 9h 0.00000( //r2// ) ii s2p2 7p s ii s2p2 8k 0.00000( //r2// ) ii s2p2 7p s ii s2p2 9k 0.00000( //r2// ) ii s2p2 7p s ii sp3 4s 0.00000( //r2// ) ii s2p2 7p s ii sp3 5s 0.00000( //r2// ) ii s2p2 7p s ii sp3 6s 0.00000( //r2// ) ii s2p2 7p s ii sp3 7s 0.00000( //r2// ) ii s2p2 7p s ii sp3 8s 0.00000( //r2// ) ii s2p2 7p s ii sp3 9s 0.00000( //r2// ) ii s2p2 7p s ii sp3 3d 0.00000( //r2// ) ii s2p2 7p s ii sp3 4d 0.00000( //r2// ) ii s2p2 7p s ii sp3 5d 0.00000( //r2// ) ii s2p2 7p s ii sp3 6d 0.00000( //r2// ) ii s2p2 7p s ii sp3 7d 0.00000( //r2// ) ii s2p2 7p s ii sp3 8d 0.00000( //r2// ) ii s2p2 7p s ii sp3 9d 0.00000( //r2// ) ii s2p2 8p s ii s2p3 0.38822( 8p//r2// 3p) ii s2p2 8p s ii s2p2 4p 2.45681( 8p//r2// 4p) ii s2p2 8p s ii s2p2 5p 10.58769( 8p//r2// 5p) ii s2p2 8p s ii s2p2 6p 47.67232( 8p//r2// 6p) ii s2p2 8p s ii s2p2 7p 365.33324( 8p//r2// 7p) ii s2p2 8p s ii s2p2 8p -1435.06279( 8p//r2// 8p) ii s2p2 8p s ii s2p2 9p 665.55523( 8p//r2// 9p) ii s2p2 8p s ii s2p2 4f 4.75589( 8p//r2// 4f) ii s2p2 8p s ii s2p2 5f 31.40015( 8p//r2// 5f) ii s2p2 8p s ii s2p2 6f 358.26250( 8p//r2// 6f) ii s2p2 8p s ii s2p2 7f -1692.63089( 8p//r2// 7f) ii s2p2 8p s ii s2p2 8f 962.18940( 8p//r2// 8f) ii s2p2 8p s ii s2p2 9f 272.24737( 8p//r2// 9f) ii s2p2 8p s ii s2p2 6h 0.00000( //r2// ) ii s2p2 8p s ii s2p2 7h 0.00000( //r2// ) ii s2p2 8p s ii s2p2 8h 0.00000( //r2// ) ii s2p2 8p s ii s2p2 9h 0.00000( //r2// ) ii s2p2 8p s ii s2p2 8k 0.00000( //r2// ) ii s2p2 8p s ii s2p2 9k 0.00000( //r2// ) ii s2p2 8p s ii sp3 4s 0.00000( //r2// ) ii s2p2 8p s ii sp3 5s 0.00000( //r2// ) ii s2p2 8p s ii sp3 6s 0.00000( //r2// ) ii s2p2 8p s ii sp3 7s 0.00000( //r2// ) ii s2p2 8p s ii sp3 8s 0.00000( //r2// ) ii s2p2 8p s ii sp3 9s 0.00000( //r2// ) ii s2p2 8p s ii sp3 3d 0.00000( //r2// ) ii s2p2 8p s ii sp3 4d 0.00000( //r2// ) ii s2p2 8p s ii sp3 5d 0.00000( //r2// ) ii s2p2 8p s ii sp3 6d 0.00000( //r2// ) ii s2p2 8p s ii sp3 7d 0.00000( //r2// ) ii s2p2 8p s ii sp3 8d 0.00000( //r2// ) ii s2p2 8p s ii sp3 9d 0.00000( //r2// ) ii s2p2 9p s ii s2p3 0.30416( 9p//r2// 3p) ii s2p2 9p s ii s2p2 4p 1.78735( 9p//r2// 4p) ii s2p2 9p s ii s2p2 5p 6.74186( 9p//r2// 5p) ii s2p2 9p s ii s2p2 6p 23.44156( 9p//r2// 6p) ii s2p2 9p s ii s2p2 7p 93.61707( 9p//r2// 7p) ii s2p2 9p s ii s2p2 8p 665.55523( 9p//r2// 8p) ii s2p2 9p s ii s2p2 9p -2495.42384( 9p//r2// 9p) ii s2p2 9p s ii s2p2 4f 2.90815( 9p//r2// 4f) ii s2p2 9p s ii s2p2 5f 14.30312( 9p//r2// 5f) ii s2p2 9p s ii s2p2 6f 71.59483( 9p//r2// 6f) ii s2p2 9p s ii s2p2 7f 708.92833( 9p//r2// 7f) ii s2p2 9p s ii s2p2 8f -2990.23097( 9p//r2// 8f) ii s2p2 9p s ii s2p2 9f 1537.26305( 9p//r2// 9f) ii s2p2 9p s ii s2p2 6h 0.00000( //r2// ) ii s2p2 9p s ii s2p2 7h 0.00000( //r2// ) ii s2p2 9p s ii s2p2 8h 0.00000( //r2// ) ii s2p2 9p s ii s2p2 9h 0.00000( //r2// ) ii s2p2 9p s ii s2p2 8k 0.00000( //r2// ) ii s2p2 9p s ii s2p2 9k 0.00000( //r2// ) ii s2p2 9p s ii sp3 4s 0.00000( //r2// ) ii s2p2 9p s ii sp3 5s 0.00000( //r2// ) ii s2p2 9p s ii sp3 6s 0.00000( //r2// ) ii s2p2 9p s ii sp3 7s 0.00000( //r2// ) ii s2p2 9p s ii sp3 8s 0.00000( //r2// ) ii s2p2 9p s ii sp3 9s 0.00000( //r2// ) ii s2p2 9p s ii sp3 3d 0.00000( //r2// ) ii s2p2 9p s ii sp3 4d 0.00000( //r2// ) ii s2p2 9p s ii sp3 5d 0.00000( //r2// ) ii s2p2 9p s ii sp3 6d 0.00000( //r2// ) ii s2p2 9p s ii sp3 7d 0.00000( //r2// ) ii s2p2 9p s ii sp3 8d 0.00000( //r2// ) ii s2p2 9p s ii sp3 9d 0.00000( //r2// ) ii s2p2 4f s ii s2p3 -2.81788( 4f//r2// 3p) ii s2p2 4f s ii s2p2 4p 53.28020( 4f//r2// 4p) ii s2p2 4f s ii s2p2 5p -122.88290( 4f//r2// 5p) ii s2p2 4f s ii s2p2 6p 48.99035( 4f//r2// 6p) ii s2p2 4f s ii s2p2 7p 10.20896( 4f//r2// 7p) ii s2p2 4f s ii s2p2 8p 4.75589( 4f//r2// 8p) ii s2p2 4f s ii s2p2 9p 2.90815( 4f//r2// 9p) ii s2p2 4f s ii s2p2 4f -119.56925( 4f//r2// 4f) ii s2p2 4f s ii s2p2 5f 80.65186( 4f//r2// 5f) ii s2p2 4f s ii s2p2 6f 18.48579( 4f//r2// 6f) ii s2p2 4f s ii s2p2 7f 8.32445( 4f//r2// 7f) ii s2p2 4f s ii s2p2 8f 4.89194( 4f//r2// 8f) ii s2p2 4f s ii s2p2 9f 3.30369( 4f//r2// 9f) ii s2p2 4f s ii s2p2 6h 147.68974( 4f//r2// 6h) ii s2p2 4f s ii s2p2 7h 80.19814( 4f//r2// 7h) ii s2p2 4f s ii s2p2 8h 51.66063( 4f//r2// 8h) ii s2p2 4f s ii s2p2 9h 36.97934( 4f//r2// 9h) ii s2p2 4f s ii s2p2 8k 0.00000( //r2// ) ii s2p2 4f s ii s2p2 9k 0.00000( //r2// ) ii s2p2 4f s ii sp3 4s 0.00000( //r2// ) ii s2p2 4f s ii sp3 5s 0.00000( //r2// ) ii s2p2 4f s ii sp3 6s 0.00000( //r2// ) ii s2p2 4f s ii sp3 7s 0.00000( //r2// ) ii s2p2 4f s ii sp3 8s 0.00000( //r2// ) ii s2p2 4f s ii sp3 9s 0.00000( //r2// ) ii s2p2 4f s ii sp3 3d 0.00000( //r2// ) ii s2p2 4f s ii sp3 4d 0.00000( //r2// ) ii s2p2 4f s ii sp3 5d 0.00000( //r2// ) ii s2p2 4f s ii sp3 6d 0.00000( //r2// ) ii s2p2 4f s ii sp3 7d 0.00000( //r2// ) ii s2p2 4f s ii sp3 8d 0.00000( //r2// ) ii s2p2 4f s ii sp3 9d 0.00000( //r2// ) ii s2p2 5f s ii s2p3 -2.13747( 5f//r2// 3p) ii s2p2 5f s ii s2p2 4p 9.74715( 5f//r2// 4p) ii s2p2 5f s ii s2p2 5p 142.70493( 5f//r2// 5p) ii s2p2 5f s ii s2p2 6p -376.96273( 5f//r2// 6p) ii s2p2 5f s ii s2p2 7p 154.06547( 5f//r2// 7p) ii s2p2 5f s ii s2p2 8p 31.40015( 5f//r2// 8p) ii s2p2 5f s ii s2p2 9p 14.30312( 5f//r2// 9p) ii s2p2 5f s ii s2p2 4f 80.65186( 5f//r2// 4f) ii s2p2 5f s ii s2p2 5f -371.55359( 5f//r2// 5f) ii s2p2 5f s ii s2p2 6f 216.22112( 5f//r2// 6f) ii s2p2 5f s ii s2p2 7f 50.89695( 5f//r2// 7f) ii s2p2 5f s ii s2p2 8f 23.13225( 5f//r2// 8f) ii s2p2 5f s ii s2p2 9f 13.64912( 5f//r2// 9f) ii s2p2 5f s ii s2p2 6h -562.81836( 5f//r2// 6h) ii s2p2 5f s ii s2p2 7h 75.60544( 5f//r2// 7h) ii s2p2 5f s ii s2p2 8h 76.56429( 5f//r2// 8h) ii s2p2 5f s ii s2p2 9h 59.61902( 5f//r2// 9h) ii s2p2 5f s ii s2p2 8k 0.00000( //r2// ) ii s2p2 5f s ii s2p2 9k 0.00000( //r2// ) ii s2p2 5f s ii sp3 4s 0.00000( //r2// ) ii s2p2 5f s ii sp3 5s 0.00000( //r2// ) ii s2p2 5f s ii sp3 6s 0.00000( //r2// ) ii s2p2 5f s ii sp3 7s 0.00000( //r2// ) ii s2p2 5f s ii sp3 8s 0.00000( //r2// ) ii s2p2 5f s ii sp3 9s 0.00000( //r2// ) ii s2p2 5f s ii sp3 3d 0.00000( //r2// ) ii s2p2 5f s ii sp3 4d 0.00000( //r2// ) ii s2p2 5f s ii sp3 5d 0.00000( //r2// ) ii s2p2 5f s ii sp3 6d 0.00000( //r2// ) ii s2p2 5f s ii sp3 7d 0.00000( //r2// ) ii s2p2 5f s ii sp3 8d 0.00000( //r2// ) ii s2p2 5f s ii sp3 9d 0.00000( //r2// ) ii s2p2 6f s ii s2p3 -1.63999( 6f//r2// 3p) ii s2p2 6f s ii s2p2 4p 2.87779( 6f//r2// 4p) ii s2p2 6f s ii s2p2 5p 35.89249( 6f//r2// 5p) ii s2p2 6f s ii s2p2 6p 302.88447( 6f//r2// 6p) ii s2p2 6f s ii s2p2 7p -864.12779( 6f//r2// 7p) ii s2p2 6f s ii s2p2 8p 358.26250( 6f//r2// 8p) ii s2p2 6f s ii s2p2 9p 71.59483( 6f//r2// 9p) ii s2p2 6f s ii s2p2 4f 18.48579( 6f//r2// 4f) ii s2p2 6f s ii s2p2 5f 216.22112( 6f//r2// 5f) ii s2p2 6f s ii s2p2 6f -861.88179( 6f//r2// 6f) ii s2p2 6f s ii s2p2 7f 455.05550( 6f//r2// 7f) ii s2p2 6f s ii s2p2 8f 107.47124( 6f//r2// 8f) ii s2p2 6f s ii s2p2 9f 48.77311( 6f//r2// 9f) ii s2p2 6f s ii s2p2 6h 621.96309( 6f//r2// 6h) ii s2p2 6f s ii s2p2 7h -1178.64523( 6f//r2// 7h) ii s2p2 6f s ii s2p2 8h -46.04544( 6f//r2// 8h) ii s2p2 6f s ii s2p2 9h 41.09483( 6f//r2// 9h) ii s2p2 6f s ii s2p2 8k 0.00000( //r2// ) ii s2p2 6f s ii s2p2 9k 0.00000( //r2// ) ii s2p2 6f s ii sp3 4s 0.00000( //r2// ) ii s2p2 6f s ii sp3 5s 0.00000( //r2// ) ii s2p2 6f s ii sp3 6s 0.00000( //r2// ) ii s2p2 6f s ii sp3 7s 0.00000( //r2// ) ii s2p2 6f s ii sp3 8s 0.00000( //r2// ) ii s2p2 6f s ii sp3 9s 0.00000( //r2// ) ii s2p2 6f s ii sp3 3d 0.00000( //r2// ) ii s2p2 6f s ii sp3 4d 0.00000( //r2// ) ii s2p2 6f s ii sp3 5d 0.00000( //r2// ) ii s2p2 6f s ii sp3 6d 0.00000( //r2// ) ii s2p2 6f s ii sp3 7d 0.00000( //r2// ) ii s2p2 6f s ii sp3 8d 0.00000( //r2// ) ii s2p2 6f s ii sp3 9d 0.00000( //r2// ) ii s2p2 7f s ii s2p3 -1.30029( 7f//r2// 3p) ii s2p2 7f s ii s2p2 4p 0.92531( 7f//r2// 4p) ii s2p2 7f s ii s2p2 5p 15.03393( 7f//r2// 5p) ii s2p2 7f s ii s2p2 6p 82.82846( 7f//r2// 6p) ii s2p2 7f s ii s2p2 7p 564.24018( 7f//r2// 7p) ii s2p2 7f s ii s2p2 8p -1692.63089( 7f//r2// 8p) ii s2p2 7f s ii s2p2 9p 708.92833( 7f//r2// 9p) ii s2p2 7f s ii s2p2 4f 8.32445( 7f//r2// 4f) ii s2p2 7f s ii s2p2 5f 50.89695( 7f//r2// 5f) ii s2p2 7f s ii s2p2 6f 455.05550( 7f//r2// 6f) ii s2p2 7f s ii s2p2 7f -1701.25768( 7f//r2// 7f) ii s2p2 7f s ii s2p2 8f 840.28010( 7f//r2// 8f) ii s2p2 7f s ii s2p2 9f 197.52447( 7f//r2// 9f) ii s2p2 7f s ii s2p2 6h -120.11850( 7f//r2// 6h) ii s2p2 7f s ii s2p2 7h 1606.37080( 7f//r2// 7h) ii s2p2 7f s ii s2p2 8h -2050.42852( 7f//r2// 8h) ii s2p2 7f s ii s2p2 9h -232.37597( 7f//r2// 9h) ii s2p2 7f s ii s2p2 8k 0.00000( //r2// ) ii s2p2 7f s ii s2p2 9k 0.00000( //r2// ) ii s2p2 7f s ii sp3 4s 0.00000( //r2// ) ii s2p2 7f s ii sp3 5s 0.00000( //r2// ) ii s2p2 7f s ii sp3 6s 0.00000( //r2// ) ii s2p2 7f s ii sp3 7s 0.00000( //r2// ) ii s2p2 7f s ii sp3 8s 0.00000( //r2// ) ii s2p2 7f s ii sp3 9s 0.00000( //r2// ) ii s2p2 7f s ii sp3 3d 0.00000( //r2// ) ii s2p2 7f s ii sp3 4d 0.00000( //r2// ) ii s2p2 7f s ii sp3 5d 0.00000( //r2// ) ii s2p2 7f s ii sp3 6d 0.00000( //r2// ) ii s2p2 7f s ii sp3 7d 0.00000( //r2// ) ii s2p2 7f s ii sp3 8d 0.00000( //r2// ) ii s2p2 7f s ii sp3 9d 0.00000( //r2// ) ii s2p2 8f s ii s2p3 -1.06109( 8f//r2// 3p) ii s2p2 8f s ii s2p2 4p 0.20525( 8f//r2// 4p) ii s2p2 8f s ii s2p2 5p 7.97827( 8f//r2// 5p) ii s2p2 8f s ii s2p2 6p 37.45834( 8f//r2// 6p) ii s2p2 8f s ii s2p2 7p 158.51831( 8f//r2// 7p) ii s2p2 8f s ii s2p2 8p 962.18940( 8f//r2// 8p) ii s2p2 8f s ii s2p2 9p -2990.23097( 8f//r2// 9p) ii s2p2 8f s ii s2p2 4f 4.89194( 8f//r2// 4f) ii s2p2 8f s ii s2p2 5f 23.13225( 8f//r2// 5f) ii s2p2 8f s ii s2p2 6f 107.47124( 8f//r2// 6f) ii s2p2 8f s ii s2p2 7f 840.28010( 8f//r2// 7f) ii s2p2 8f s ii s2p2 8f -3020.80698( 8f//r2// 8f) ii s2p2 8f s ii s2p2 9f 1421.83576( 8f//r2// 9f) ii s2p2 8f s ii s2p2 6h -27.14285( 8f//r2// 6h) ii s2p2 8f s ii s2p2 7h -352.16898( 8f//r2// 7h) ii s2p2 8f s ii s2p2 8h 3222.98876( 8f//r2// 8h) ii s2p2 8f s ii s2p2 9h -3253.62019( 8f//r2// 9h) ii s2p2 8f s ii s2p2 8k 0.00000( //r2// ) ii s2p2 8f s ii s2p2 9k 0.00000( //r2// ) ii s2p2 8f s ii sp3 4s 0.00000( //r2// ) ii s2p2 8f s ii sp3 5s 0.00000( //r2// ) ii s2p2 8f s ii sp3 6s 0.00000( //r2// ) ii s2p2 8f s ii sp3 7s 0.00000( //r2// ) ii s2p2 8f s ii sp3 8s 0.00000( //r2// ) ii s2p2 8f s ii sp3 9s 0.00000( //r2// ) ii s2p2 8f s ii sp3 3d 0.00000( //r2// ) ii s2p2 8f s ii sp3 4d 0.00000( //r2// ) ii s2p2 8f s ii sp3 5d 0.00000( //r2// ) ii s2p2 8f s ii sp3 6d 0.00000( //r2// ) ii s2p2 8f s ii sp3 7d 0.00000( //r2// ) ii s2p2 8f s ii sp3 8d 0.00000( //r2// ) ii s2p2 8f s ii sp3 9d 0.00000( //r2// ) ii s2p2 9f s ii s2p3 -0.88635( 9f//r2// 3p) ii s2p2 9f s ii s2p2 4p -0.09762( 9f//r2// 4p) ii s2p2 9f s ii s2p2 5p 4.85194( 9f//r2// 5p) ii s2p2 9f s ii s2p2 6p 21.33026( 9f//r2// 6p) ii s2p2 9f s ii s2p2 7p 73.66164( 9f//r2// 7p) ii s2p2 9f s ii s2p2 8p 272.24737( 9f//r2// 8p) ii s2p2 9f s ii s2p2 9p 1537.26305( 9f//r2// 9p) ii s2p2 9f s ii s2p2 4f 3.30369( 9f//r2// 4f) ii s2p2 9f s ii s2p2 5f 13.64912( 9f//r2// 5f) ii s2p2 9f s ii s2p2 6f 48.77311( 9f//r2// 6f) ii s2p2 9f s ii s2p2 7f 197.52447( 9f//r2// 7f) ii s2p2 9f s ii s2p2 8f 1421.83576( 9f//r2// 8f) ii s2p2 9f s ii s2p2 9f -4972.12209( 9f//r2// 9f) ii s2p2 9f s ii s2p2 6h -12.07984( 9f//r2// 6h) ii s2p2 9f s ii s2p2 7h -78.40414( 9f//r2// 7h) ii s2p2 9f s ii s2p2 8h -774.60505( 9f//r2// 8h) ii s2p2 9f s ii s2p2 9h 5681.18921( 9f//r2// 9h) ii s2p2 9f s ii s2p2 8k 0.00000( //r2// ) ii s2p2 9f s ii s2p2 9k 0.00000( //r2// ) ii s2p2 9f s ii sp3 4s 0.00000( //r2// ) ii s2p2 9f s ii sp3 5s 0.00000( //r2// ) ii s2p2 9f s ii sp3 6s 0.00000( //r2// ) ii s2p2 9f s ii sp3 7s 0.00000( //r2// ) ii s2p2 9f s ii sp3 8s 0.00000( //r2// ) ii s2p2 9f s ii sp3 9s 0.00000( //r2// ) ii s2p2 9f s ii sp3 3d 0.00000( //r2// ) ii s2p2 9f s ii sp3 4d 0.00000( //r2// ) ii s2p2 9f s ii sp3 5d 0.00000( //r2// ) ii s2p2 9f s ii sp3 6d 0.00000( //r2// ) ii s2p2 9f s ii sp3 7d 0.00000( //r2// ) ii s2p2 9f s ii sp3 8d 0.00000( //r2// ) ii s2p2 9f s ii sp3 9d 0.00000( //r2// ) ii s2p2 6h s ii s2p3 0.00000( //r2// ) ii s2p2 6h s ii s2p2 4p 0.00000( //r2// ) ii s2p2 6h s ii s2p2 5p 0.00000( //r2// ) ii s2p2 6h s ii s2p2 6p 0.00000( //r2// ) ii s2p2 6h s ii s2p2 7p 0.00000( //r2// ) ii s2p2 6h s ii s2p2 8p 0.00000( //r2// ) ii s2p2 6h s ii s2p2 9p 0.00000( //r2// ) ii s2p2 6h s ii s2p2 4f 147.68974( 6h//r2// 4f) ii s2p2 6h s ii s2p2 5f -562.81836( 6h//r2// 5f) ii s2p2 6h s ii s2p2 6f 621.96309( 6h//r2// 6f) ii s2p2 6h s ii s2p2 7f -120.11850( 6h//r2// 7f) ii s2p2 6h s ii s2p2 8f -27.14285( 6h//r2// 8f) ii s2p2 6h s ii s2p2 9f -12.07984( 6h//r2// 9f) ii s2p2 6h s ii s2p2 6h -687.72003( 6h//r2// 6h) ii s2p2 6h s ii s2p2 7h 378.65460( 6h//r2// 7h) ii s2p2 6h s ii s2p2 8h 75.45723( 6h//r2// 8h) ii s2p2 6h s ii s2p2 9h 31.20109( 6h//r2// 9h) ii s2p2 6h s ii s2p2 8k 868.76089( 6h//r2// 8k) ii s2p2 6h s ii s2p2 9k 413.90255( 6h//r2// 9k) ii s2p2 6h s ii sp3 4s 0.00000( //r2// ) ii s2p2 6h s ii sp3 5s 0.00000( //r2// ) ii s2p2 6h s ii sp3 6s 0.00000( //r2// ) ii s2p2 6h s ii sp3 7s 0.00000( //r2// ) ii s2p2 6h s ii sp3 8s 0.00000( //r2// ) ii s2p2 6h s ii sp3 9s 0.00000( //r2// ) ii s2p2 6h s ii sp3 3d 0.00000( //r2// ) ii s2p2 6h s ii sp3 4d 0.00000( //r2// ) ii s2p2 6h s ii sp3 5d 0.00000( //r2// ) ii s2p2 6h s ii sp3 6d 0.00000( //r2// ) ii s2p2 6h s ii sp3 7d 0.00000( //r2// ) ii s2p2 6h s ii sp3 8d 0.00000( //r2// ) ii s2p2 6h s ii sp3 9d 0.00000( //r2// ) ii s2p2 7h s ii s2p3 0.00000( //r2// ) ii s2p2 7h s ii s2p2 4p 0.00000( //r2// ) ii s2p2 7h s ii s2p2 5p 0.00000( //r2// ) ii s2p2 7h s ii s2p2 6p 0.00000( //r2// ) ii s2p2 7h s ii s2p2 7p 0.00000( //r2// ) ii s2p2 7h s ii s2p2 8p 0.00000( //r2// ) ii s2p2 7h s ii s2p2 9p 0.00000( //r2// ) ii s2p2 7h s ii s2p2 4f 80.19814( 7h//r2// 4f) ii s2p2 7h s ii s2p2 5f 75.60544( 7h//r2// 5f) ii s2p2 7h s ii s2p2 6f -1178.64523( 7h//r2// 6f) ii s2p2 7h s ii s2p2 7f 1606.37080( 7h//r2// 7f) ii s2p2 7h s ii s2p2 8f -352.16898( 7h//r2// 8f) ii s2p2 7h s ii s2p2 9f -78.40414( 7h//r2// 9f) ii s2p2 7h s ii s2p2 6h 378.65460( 7h//r2// 6h) ii s2p2 7h s ii s2p2 7h -1604.65882( 7h//r2// 7h) ii s2p2 7h s ii s2p2 8h 840.70104( 7h//r2// 8h) ii s2p2 7h s ii s2p2 9h 177.59980( 7h//r2// 9h) ii s2p2 7h s ii s2p2 8k -2223.81382( 7h//r2// 8k) ii s2p2 7h s ii s2p2 9k 676.85785( 7h//r2// 9k) ii s2p2 7h s ii sp3 4s 0.00000( //r2// ) ii s2p2 7h s ii sp3 5s 0.00000( //r2// ) ii s2p2 7h s ii sp3 6s 0.00000( //r2// ) ii s2p2 7h s ii sp3 7s 0.00000( //r2// ) ii s2p2 7h s ii sp3 8s 0.00000( //r2// ) ii s2p2 7h s ii sp3 9s 0.00000( //r2// ) ii s2p2 7h s ii sp3 3d 0.00000( //r2// ) ii s2p2 7h s ii sp3 4d 0.00000( //r2// ) ii s2p2 7h s ii sp3 5d 0.00000( //r2// ) ii s2p2 7h s ii sp3 6d 0.00000( //r2// ) ii s2p2 7h s ii sp3 7d 0.00000( //r2// ) ii s2p2 7h s ii sp3 8d 0.00000( //r2// ) ii s2p2 7h s ii sp3 9d 0.00000( //r2// ) ii s2p2 8h s ii s2p3 0.00000( //r2// ) ii s2p2 8h s ii s2p2 4p 0.00000( //r2// ) ii s2p2 8h s ii s2p2 5p 0.00000( //r2// ) ii s2p2 8h s ii s2p2 6p 0.00000( //r2// ) ii s2p2 8h s ii s2p2 7p 0.00000( //r2// ) ii s2p2 8h s ii s2p2 8p 0.00000( //r2// ) ii s2p2 8h s ii s2p2 9p 0.00000( //r2// ) ii s2p2 8h s ii s2p2 4f 51.66063( 8h//r2// 4f) ii s2p2 8h s ii s2p2 5f 76.56429( 8h//r2// 5f) ii s2p2 8h s ii s2p2 6f -46.04544( 8h//r2// 6f) ii s2p2 8h s ii s2p2 7f -2050.42852( 8h//r2// 7f) ii s2p2 8h s ii s2p2 8f 3222.98876( 8h//r2// 8f) ii s2p2 8h s ii s2p2 9f -774.60505( 8h//r2// 9f) ii s2p2 8h s ii s2p2 6h 75.45723( 8h//r2// 6h) ii s2p2 8h s ii s2p2 7h 840.70104( 8h//r2// 7h) ii s2p2 8h s ii s2p2 8h -3103.49843( 8h//r2// 8h) ii s2p2 8h s ii s2p2 9h 1536.41759( 8h//r2// 9h) ii s2p2 8h s ii s2p2 8k 1804.65480( 8h//r2// 8k) ii s2p2 8h s ii s2p2 9k -4239.05436( 8h//r2// 9k) ii s2p2 8h s ii sp3 4s 0.00000( //r2// ) ii s2p2 8h s ii sp3 5s 0.00000( //r2// ) ii s2p2 8h s ii sp3 6s 0.00000( //r2// ) ii s2p2 8h s ii sp3 7s 0.00000( //r2// ) ii s2p2 8h s ii sp3 8s 0.00000( //r2// ) ii s2p2 8h s ii sp3 9s 0.00000( //r2// ) ii s2p2 8h s ii sp3 3d 0.00000( //r2// ) ii s2p2 8h s ii sp3 4d 0.00000( //r2// ) ii s2p2 8h s ii sp3 5d 0.00000( //r2// ) ii s2p2 8h s ii sp3 6d 0.00000( //r2// ) ii s2p2 8h s ii sp3 7d 0.00000( //r2// ) ii s2p2 8h s ii sp3 8d 0.00000( //r2// ) ii s2p2 8h s ii sp3 9d 0.00000( //r2// ) ii s2p2 9h s ii s2p3 0.00000( //r2// ) ii s2p2 9h s ii s2p2 4p 0.00000( //r2// ) ii s2p2 9h s ii s2p2 5p 0.00000( //r2// ) ii s2p2 9h s ii s2p2 6p 0.00000( //r2// ) ii s2p2 9h s ii s2p2 7p 0.00000( //r2// ) ii s2p2 9h s ii s2p2 8p 0.00000( //r2// ) ii s2p2 9h s ii s2p2 9p 0.00000( //r2// ) ii s2p2 9h s ii s2p2 4f 36.97934( 9h//r2// 4f) ii s2p2 9h s ii s2p2 5f 59.61902( 9h//r2// 5f) ii s2p2 9h s ii s2p2 6f 41.09483( 9h//r2// 6f) ii s2p2 9h s ii s2p2 7f -232.37597( 9h//r2// 7f) ii s2p2 9h s ii s2p2 8f -3253.62019( 9h//r2// 8f) ii s2p2 9h s ii s2p2 9f 5681.18921( 9h//r2// 9f) ii s2p2 9h s ii s2p2 6h 31.20109( 9h//r2// 6h) ii s2p2 9h s ii s2p2 7h 177.59980( 9h//r2// 7h) ii s2p2 9h s ii s2p2 8h 1536.41759( 9h//r2// 8h) ii s2p2 9h s ii s2p2 9h -5373.13184( 9h//r2// 9h) ii s2p2 9h s ii s2p2 8k -237.16031( 9h//r2// 8k) ii s2p2 9h s ii s2p2 9k 4229.18801( 9h//r2// 9k) ii s2p2 9h s ii sp3 4s 0.00000( //r2// ) ii s2p2 9h s ii sp3 5s 0.00000( //r2// ) ii s2p2 9h s ii sp3 6s 0.00000( //r2// ) ii s2p2 9h s ii sp3 7s 0.00000( //r2// ) ii s2p2 9h s ii sp3 8s 0.00000( //r2// ) ii s2p2 9h s ii sp3 9s 0.00000( //r2// ) ii s2p2 9h s ii sp3 3d 0.00000( //r2// ) ii s2p2 9h s ii sp3 4d 0.00000( //r2// ) ii s2p2 9h s ii sp3 5d 0.00000( //r2// ) ii s2p2 9h s ii sp3 6d 0.00000( //r2// ) ii s2p2 9h s ii sp3 7d 0.00000( //r2// ) ii s2p2 9h s ii sp3 8d 0.00000( //r2// ) ii s2p2 9h s ii sp3 9d 0.00000( //r2// ) ii s2p2 8k s ii s2p3 0.00000( //r2// ) ii s2p2 8k s ii s2p2 4p 0.00000( //r2// ) ii s2p2 8k s ii s2p2 5p 0.00000( //r2// ) ii s2p2 8k s ii s2p2 6p 0.00000( //r2// ) ii s2p2 8k s ii s2p2 7p 0.00000( //r2// ) ii s2p2 8k s ii s2p2 8p 0.00000( //r2// ) ii s2p2 8k s ii s2p2 9p 0.00000( //r2// ) ii s2p2 8k s ii s2p2 4f 0.00000( //r2// ) ii s2p2 8k s ii s2p2 5f 0.00000( //r2// ) ii s2p2 8k s ii s2p2 6f 0.00000( //r2// ) ii s2p2 8k s ii s2p2 7f 0.00000( //r2// ) ii s2p2 8k s ii s2p2 8f 0.00000( //r2// ) ii s2p2 8k s ii s2p2 9f 0.00000( //r2// ) ii s2p2 8k s ii s2p2 6h 868.76089( 8k//r2// 6h) ii s2p2 8k s ii s2p2 7h -2223.81382( 8k//r2// 7h) ii s2p2 8k s ii s2p2 8h 1804.65480( 8k//r2// 8h) ii s2p2 8k s ii s2p2 9h -237.16031( 8k//r2// 9h) ii s2p2 8k s ii s2p2 8k -2386.29095( 8k//r2// 8k) ii s2p2 8k s ii s2p2 9k 1152.50061( 8k//r2// 9k) ii s2p2 8k s ii sp3 4s 0.00000( //r2// ) ii s2p2 8k s ii sp3 5s 0.00000( //r2// ) ii s2p2 8k s ii sp3 6s 0.00000( //r2// ) ii s2p2 8k s ii sp3 7s 0.00000( //r2// ) ii s2p2 8k s ii sp3 8s 0.00000( //r2// ) ii s2p2 8k s ii sp3 9s 0.00000( //r2// ) ii s2p2 8k s ii sp3 3d 0.00000( //r2// ) ii s2p2 8k s ii sp3 4d 0.00000( //r2// ) ii s2p2 8k s ii sp3 5d 0.00000( //r2// ) ii s2p2 8k s ii sp3 6d 0.00000( //r2// ) ii s2p2 8k s ii sp3 7d 0.00000( //r2// ) ii s2p2 8k s ii sp3 8d 0.00000( //r2// ) ii s2p2 8k s ii sp3 9d 0.00000( //r2// ) ii s2p2 9k s ii s2p3 0.00000( //r2// ) ii s2p2 9k s ii s2p2 4p 0.00000( //r2// ) ii s2p2 9k s ii s2p2 5p 0.00000( //r2// ) ii s2p2 9k s ii s2p2 6p 0.00000( //r2// ) ii s2p2 9k s ii s2p2 7p 0.00000( //r2// ) ii s2p2 9k s ii s2p2 8p 0.00000( //r2// ) ii s2p2 9k s ii s2p2 9p 0.00000( //r2// ) ii s2p2 9k s ii s2p2 4f 0.00000( //r2// ) ii s2p2 9k s ii s2p2 5f 0.00000( //r2// ) ii s2p2 9k s ii s2p2 6f 0.00000( //r2// ) ii s2p2 9k s ii s2p2 7f 0.00000( //r2// ) ii s2p2 9k s ii s2p2 8f 0.00000( //r2// ) ii s2p2 9k s ii s2p2 9f 0.00000( //r2// ) ii s2p2 9k s ii s2p2 6h 413.90255( 9k//r2// 6h) ii s2p2 9k s ii s2p2 7h 676.85785( 9k//r2// 7h) ii s2p2 9k s ii s2p2 8h -4239.05436( 9k//r2// 8h) ii s2p2 9k s ii s2p2 9h 4229.18801( 9k//r2// 9h) ii s2p2 9k s ii s2p2 8k 1152.50061( 9k//r2// 8k) ii s2p2 9k s ii s2p2 9k -4698.01007( 9k//r2// 9k) ii s2p2 9k s ii sp3 4s 0.00000( //r2// ) ii s2p2 9k s ii sp3 5s 0.00000( //r2// ) ii s2p2 9k s ii sp3 6s 0.00000( //r2// ) ii s2p2 9k s ii sp3 7s 0.00000( //r2// ) ii s2p2 9k s ii sp3 8s 0.00000( //r2// ) ii s2p2 9k s ii sp3 9s 0.00000( //r2// ) ii s2p2 9k s ii sp3 3d 0.00000( //r2// ) ii s2p2 9k s ii sp3 4d 0.00000( //r2// ) ii s2p2 9k s ii sp3 5d 0.00000( //r2// ) ii s2p2 9k s ii sp3 6d 0.00000( //r2// ) ii s2p2 9k s ii sp3 7d 0.00000( //r2// ) ii s2p2 9k s ii sp3 8d 0.00000( //r2// ) ii s2p2 9k s ii sp3 9d 0.00000( //r2// ) ii sp3 4s s ii s2p3 0.00000( //r2// ) ii sp3 4s s ii s2p2 4p 0.00000( //r2// ) ii sp3 4s s ii s2p2 5p 0.00000( //r2// ) ii sp3 4s s ii s2p2 6p 0.00000( //r2// ) ii sp3 4s s ii s2p2 7p 0.00000( //r2// ) ii sp3 4s s ii s2p2 8p 0.00000( //r2// ) ii sp3 4s s ii s2p2 9p 0.00000( //r2// ) ii sp3 4s s ii s2p2 4f 0.00000( //r2// ) ii sp3 4s s ii s2p2 5f 0.00000( //r2// ) ii sp3 4s s ii s2p2 6f 0.00000( //r2// ) ii sp3 4s s ii s2p2 7f 0.00000( //r2// ) ii sp3 4s s ii s2p2 8f 0.00000( //r2// ) ii sp3 4s s ii s2p2 9f 0.00000( //r2// ) ii sp3 4s s ii s2p2 6h 0.00000( //r2// ) ii sp3 4s s ii s2p2 7h 0.00000( //r2// ) ii sp3 4s s ii s2p2 8h 0.00000( //r2// ) ii sp3 4s s ii s2p2 9h 0.00000( //r2// ) ii sp3 4s s ii s2p2 8k 0.00000( //r2// ) ii sp3 4s s ii s2p2 9k 0.00000( //r2// ) ii sp3 4s s ii sp3 4s -4.12114( 3p//r2// 3p) ii sp3 4s s ii sp3 5s 0.00000( //r2// ) ii sp3 4s s ii sp3 6s 0.00000( //r2// ) ii sp3 4s s ii sp3 7s 0.00000( //r2// ) ii sp3 4s s ii sp3 8s 0.00000( //r2// ) ii sp3 4s s ii sp3 9s 0.00000( //r2// ) ii sp3 4s s ii sp3 3d -13.75340( 4s//r2// 3d) ii sp3 4s s ii sp3 4d 22.79031( 4s//r2// 4d) ii sp3 4s s ii sp3 5d 5.92030( 4s//r2// 5d) ii sp3 4s s ii sp3 6d 2.79835( 4s//r2// 6d) ii sp3 4s s ii sp3 7d 1.68670( 4s//r2// 7d) ii sp3 4s s ii sp3 8d 1.15576( 4s//r2// 8d) ii sp3 4s s ii sp3 9d 0.85608( 4s//r2// 9d) ii sp3 5s s ii s2p3 0.00000( //r2// ) ii sp3 5s s ii s2p2 4p 0.00000( //r2// ) ii sp3 5s s ii s2p2 5p 0.00000( //r2// ) ii sp3 5s s ii s2p2 6p 0.00000( //r2// ) ii sp3 5s s ii s2p2 7p 0.00000( //r2// ) ii sp3 5s s ii s2p2 8p 0.00000( //r2// ) ii sp3 5s s ii s2p2 9p 0.00000( //r2// ) ii sp3 5s s ii s2p2 4f 0.00000( //r2// ) ii sp3 5s s ii s2p2 5f 0.00000( //r2// ) ii sp3 5s s ii s2p2 6f 0.00000( //r2// ) ii sp3 5s s ii s2p2 7f 0.00000( //r2// ) ii sp3 5s s ii s2p2 8f 0.00000( //r2// ) ii sp3 5s s ii s2p2 9f 0.00000( //r2// ) ii sp3 5s s ii s2p2 6h 0.00000( //r2// ) ii sp3 5s s ii s2p2 7h 0.00000( //r2// ) ii sp3 5s s ii s2p2 8h 0.00000( //r2// ) ii sp3 5s s ii s2p2 9h 0.00000( //r2// ) ii sp3 5s s ii s2p2 8k 0.00000( //r2// ) ii sp3 5s s ii s2p2 9k 0.00000( //r2// ) ii sp3 5s s ii sp3 4s 0.00000( //r2// ) ii sp3 5s s ii sp3 5s -4.02809( 3p//r2// 3p) ii sp3 5s s ii sp3 6s 0.00000( //r2// ) ii sp3 5s s ii sp3 7s 0.00000( //r2// ) ii sp3 5s s ii sp3 8s 0.00000( //r2// ) ii sp3 5s s ii sp3 9s 0.00000( //r2// ) ii sp3 5s s ii sp3 3d 5.50246( 5s//r2// 3d) ii sp3 5s s ii sp3 4d -75.03590( 5s//r2// 4d) ii sp3 5s s ii sp3 5d 68.28918( 5s//r2// 5d) ii sp3 5s s ii sp3 6d 18.77869( 5s//r2// 6d) ii sp3 5s s ii sp3 7d 9.09330( 5s//r2// 7d) ii sp3 5s s ii sp3 8d 5.56431( 5s//r2// 8d) ii sp3 5s s ii sp3 9d 3.85695( 5s//r2// 9d) ii sp3 6s s ii s2p3 0.00000( //r2// ) ii sp3 6s s ii s2p2 4p 0.00000( //r2// ) ii sp3 6s s ii s2p2 5p 0.00000( //r2// ) ii sp3 6s s ii s2p2 6p 0.00000( //r2// ) ii sp3 6s s ii s2p2 7p 0.00000( //r2// ) ii sp3 6s s ii s2p2 8p 0.00000( //r2// ) ii sp3 6s s ii s2p2 9p 0.00000( //r2// ) ii sp3 6s s ii s2p2 4f 0.00000( //r2// ) ii sp3 6s s ii s2p2 5f 0.00000( //r2// ) ii sp3 6s s ii s2p2 6f 0.00000( //r2// ) ii sp3 6s s ii s2p2 7f 0.00000( //r2// ) ii sp3 6s s ii s2p2 8f 0.00000( //r2// ) ii sp3 6s s ii s2p2 9f 0.00000( //r2// ) ii sp3 6s s ii s2p2 6h 0.00000( //r2// ) ii sp3 6s s ii s2p2 7h 0.00000( //r2// ) ii sp3 6s s ii s2p2 8h 0.00000( //r2// ) ii sp3 6s s ii s2p2 9h 0.00000( //r2// ) ii sp3 6s s ii s2p2 8k 0.00000( //r2// ) ii sp3 6s s ii s2p2 9k 0.00000( //r2// ) ii sp3 6s s ii sp3 4s 0.00000( //r2// ) ii sp3 6s s ii sp3 5s 0.00000( //r2// ) ii sp3 6s s ii sp3 6s -4.00801( 3p//r2// 3p) ii sp3 6s s ii sp3 7s 0.00000( //r2// ) ii sp3 6s s ii sp3 8s 0.00000( //r2// ) ii sp3 6s s ii sp3 9s 0.00000( //r2// ) ii sp3 6s s ii sp3 3d 1.60100( 6s//r2// 3d) ii sp3 6s s ii sp3 4d 31.33886( 6s//r2// 4d) ii sp3 6s s ii sp3 5d -225.71160( 6s//r2// 5d) ii sp3 6s s ii sp3 6d 158.28570( 6s//r2// 6d) ii sp3 6s s ii sp3 7d 43.78881( 6s//r2// 7d) ii sp3 6s s ii sp3 8d 21.20842( 6s//r2// 8d) ii sp3 6s s ii sp3 9d 12.96752( 6s//r2// 9d) ii sp3 7s s ii s2p3 0.00000( //r2// ) ii sp3 7s s ii s2p2 4p 0.00000( //r2// ) ii sp3 7s s ii s2p2 5p 0.00000( //r2// ) ii sp3 7s s ii s2p2 6p 0.00000( //r2// ) ii sp3 7s s ii s2p2 7p 0.00000( //r2// ) ii sp3 7s s ii s2p2 8p 0.00000( //r2// ) ii sp3 7s s ii s2p2 9p 0.00000( //r2// ) ii sp3 7s s ii s2p2 4f 0.00000( //r2// ) ii sp3 7s s ii s2p2 5f 0.00000( //r2// ) ii sp3 7s s ii s2p2 6f 0.00000( //r2// ) ii sp3 7s s ii s2p2 7f 0.00000( //r2// ) ii sp3 7s s ii s2p2 8f 0.00000( //r2// ) ii sp3 7s s ii s2p2 9f 0.00000( //r2// ) ii sp3 7s s ii s2p2 6h 0.00000( //r2// ) ii sp3 7s s ii s2p2 7h 0.00000( //r2// ) ii sp3 7s s ii s2p2 8h 0.00000( //r2// ) ii sp3 7s s ii s2p2 9h 0.00000( //r2// ) ii sp3 7s s ii s2p2 8k 0.00000( //r2// ) ii sp3 7s s ii s2p2 9k 0.00000( //r2// ) ii sp3 7s s ii sp3 4s 0.00000( //r2// ) ii sp3 7s s ii sp3 5s 0.00000( //r2// ) ii sp3 7s s ii sp3 6s 0.00000( //r2// ) ii sp3 7s s ii sp3 7s -4.00096( 3p//r2// 3p) ii sp3 7s s ii sp3 8s 0.00000( //r2// ) ii sp3 7s s ii sp3 9s 0.00000( //r2// ) ii sp3 7s s ii sp3 3d 0.85359( 7s//r2// 3d) ii sp3 7s s ii sp3 4d 8.11942( 7s//r2// 4d) ii sp3 7s s ii sp3 5d 95.10925( 7s//r2// 5d) ii sp3 7s s ii sp3 6d -525.80508( 7s//r2// 6d) ii sp3 7s s ii sp3 7d 314.93878( 7s//r2// 7d) ii sp3 7s s ii sp3 8d 86.44604( 7s//r2// 8d) ii sp3 7s s ii sp3 9d 41.58153( 7s//r2// 9d) ii sp3 8s s ii s2p3 0.00000( //r2// ) ii sp3 8s s ii s2p2 4p 0.00000( //r2// ) ii sp3 8s s ii s2p2 5p 0.00000( //r2// ) ii sp3 8s s ii s2p2 6p 0.00000( //r2// ) ii sp3 8s s ii s2p2 7p 0.00000( //r2// ) ii sp3 8s s ii s2p2 8p 0.00000( //r2// ) ii sp3 8s s ii s2p2 9p 0.00000( //r2// ) ii sp3 8s s ii s2p2 4f 0.00000( //r2// ) ii sp3 8s s ii s2p2 5f 0.00000( //r2// ) ii sp3 8s s ii s2p2 6f 0.00000( //r2// ) ii sp3 8s s ii s2p2 7f 0.00000( //r2// ) ii sp3 8s s ii s2p2 8f 0.00000( //r2// ) ii sp3 8s s ii s2p2 9f 0.00000( //r2// ) ii sp3 8s s ii s2p2 6h 0.00000( //r2// ) ii sp3 8s s ii s2p2 7h 0.00000( //r2// ) ii sp3 8s s ii s2p2 8h 0.00000( //r2// ) ii sp3 8s s ii s2p2 9h 0.00000( //r2// ) ii sp3 8s s ii s2p2 8k 0.00000( //r2// ) ii sp3 8s s ii s2p2 9k 0.00000( //r2// ) ii sp3 8s s ii sp3 4s 0.00000( //r2// ) ii sp3 8s s ii sp3 5s 0.00000( //r2// ) ii sp3 8s s ii sp3 6s 0.00000( //r2// ) ii sp3 8s s ii sp3 7s 0.00000( //r2// ) ii sp3 8s s ii sp3 8s -3.99780( 3p//r2// 3p) ii sp3 8s s ii sp3 9s 0.00000( //r2// ) ii sp3 8s s ii sp3 3d 0.56239( 8s//r2// 3d) ii sp3 8s s ii sp3 4d 4.07979( 8s//r2// 4d) ii sp3 8s s ii sp3 5d 23.19341( 8s//r2// 5d) ii sp3 8s s ii sp3 6d 221.97231( 8s//r2// 6d) ii sp3 8s s ii sp3 7d -1049.85830( 8s//r2// 7d) ii sp3 8s s ii sp3 8d 564.66955( 8s//r2// 8d) ii sp3 8s s ii sp3 9d 153.24711( 8s//r2// 9d) ii sp3 9s s ii s2p3 0.00000( //r2// ) ii sp3 9s s ii s2p2 4p 0.00000( //r2// ) ii sp3 9s s ii s2p2 5p 0.00000( //r2// ) ii sp3 9s s ii s2p2 6p 0.00000( //r2// ) ii sp3 9s s ii s2p2 7p 0.00000( //r2// ) ii sp3 9s s ii s2p2 8p 0.00000( //r2// ) ii sp3 9s s ii s2p2 9p 0.00000( //r2// ) ii sp3 9s s ii s2p2 4f 0.00000( //r2// ) ii sp3 9s s ii s2p2 5f 0.00000( //r2// ) ii sp3 9s s ii s2p2 6f 0.00000( //r2// ) ii sp3 9s s ii s2p2 7f 0.00000( //r2// ) ii sp3 9s s ii s2p2 8f 0.00000( //r2// ) ii sp3 9s s ii s2p2 9f 0.00000( //r2// ) ii sp3 9s s ii s2p2 6h 0.00000( //r2// ) ii sp3 9s s ii s2p2 7h 0.00000( //r2// ) ii sp3 9s s ii s2p2 8h 0.00000( //r2// ) ii sp3 9s s ii s2p2 9h 0.00000( //r2// ) ii sp3 9s s ii s2p2 8k 0.00000( //r2// ) ii sp3 9s s ii s2p2 9k 0.00000( //r2// ) ii sp3 9s s ii sp3 4s 0.00000( //r2// ) ii sp3 9s s ii sp3 5s 0.00000( //r2// ) ii sp3 9s s ii sp3 6s 0.00000( //r2// ) ii sp3 9s s ii sp3 7s 0.00000( //r2// ) ii sp3 9s s ii sp3 8s 0.00000( //r2// ) ii sp3 9s s ii sp3 9s -3.99616( 3p//r2// 3p) ii sp3 9s s ii sp3 3d 0.41156( 9s//r2// 3d) ii sp3 9s s ii sp3 4d 2.59691( 9s//r2// 4d) ii sp3 9s s ii sp3 5d 11.24590( 9s//r2// 5d) ii sp3 9s s ii sp3 6d 51.81968( 9s//r2// 6d) ii sp3 9s s ii sp3 7d 443.09785( 9s//r2// 7d) ii sp3 9s s ii sp3 8d -1887.31684( 9s//r2// 8d) ii sp3 9s s ii sp3 9d 938.27841( 9s//r2// 9d) ii sp3 3d s ii s2p3 3.80387( 3d//r2// 3s) ii sp3 3d s ii s2p2 4p 0.00000( //r2// ) ii sp3 3d s ii s2p2 5p 0.00000( //r2// ) ii sp3 3d s ii s2p2 6p 0.00000( //r2// ) ii sp3 3d s ii s2p2 7p 0.00000( //r2// ) ii sp3 3d s ii s2p2 8p 0.00000( //r2// ) ii sp3 3d s ii s2p2 9p 0.00000( //r2// ) ii sp3 3d s ii s2p2 4f 0.00000( //r2// ) ii sp3 3d s ii s2p2 5f 0.00000( //r2// ) ii sp3 3d s ii s2p2 6f 0.00000( //r2// ) ii sp3 3d s ii s2p2 7f 0.00000( //r2// ) ii sp3 3d s ii s2p2 8f 0.00000( //r2// ) ii sp3 3d s ii s2p2 9f 0.00000( //r2// ) ii sp3 3d s ii s2p2 6h 0.00000( //r2// ) ii sp3 3d s ii s2p2 7h 0.00000( //r2// ) ii sp3 3d s ii s2p2 8h 0.00000( //r2// ) ii sp3 3d s ii s2p2 9h 0.00000( //r2// ) ii sp3 3d s ii s2p2 8k 0.00000( //r2// ) ii sp3 3d s ii s2p2 9k 0.00000( //r2// ) ii sp3 3d s ii sp3 4s -13.75340( 3d//r2// 4s) ii sp3 3d s ii sp3 5s 5.50246( 3d//r2// 5s) ii sp3 3d s ii sp3 6s 1.60100( 3d//r2// 6s) ii sp3 3d s ii sp3 7s 0.85359( 3d//r2// 7s) ii sp3 3d s ii sp3 8s 0.56239( 3d//r2// 8s) ii sp3 3d s ii sp3 9s 0.41156( 3d//r2// 9s) ii sp3 3d s ii sp3 3d -12.85221( 3d//r2// 3d) ii sp3 3d s ii sp3 4d 12.42283( 3d//r2// 4d) ii sp3 3d s ii sp3 5d 3.58232( 3d//r2// 5d) ii sp3 3d s ii sp3 6d 1.87097( 3d//r2// 6d) ii sp3 3d s ii sp3 7d 1.21201( 3d//r2// 7d) ii sp3 3d s ii sp3 8d 0.87477( 3d//r2// 8d) ii sp3 3d s ii sp3 9d 0.67333( 3d//r2// 9d) ii sp3 4d s ii s2p3 0.63323( 4d//r2// 3s) ii sp3 4d s ii s2p2 4p 0.00000( //r2// ) ii sp3 4d s ii s2p2 5p 0.00000( //r2// ) ii sp3 4d s ii s2p2 6p 0.00000( //r2// ) ii sp3 4d s ii s2p2 7p 0.00000( //r2// ) ii sp3 4d s ii s2p2 8p 0.00000( //r2// ) ii sp3 4d s ii s2p2 9p 0.00000( //r2// ) ii sp3 4d s ii s2p2 4f 0.00000( //r2// ) ii sp3 4d s ii s2p2 5f 0.00000( //r2// ) ii sp3 4d s ii s2p2 6f 0.00000( //r2// ) ii sp3 4d s ii s2p2 7f 0.00000( //r2// ) ii sp3 4d s ii s2p2 8f 0.00000( //r2// ) ii sp3 4d s ii s2p2 9f 0.00000( //r2// ) ii sp3 4d s ii s2p2 6h 0.00000( //r2// ) ii sp3 4d s ii s2p2 7h 0.00000( //r2// ) ii sp3 4d s ii s2p2 8h 0.00000( //r2// ) ii sp3 4d s ii s2p2 9h 0.00000( //r2// ) ii sp3 4d s ii s2p2 8k 0.00000( //r2// ) ii sp3 4d s ii s2p2 9k 0.00000( //r2// ) ii sp3 4d s ii sp3 4s 22.79031( 4d//r2// 4s) ii sp3 4d s ii sp3 5s -75.03590( 4d//r2// 5s) ii sp3 4d s ii sp3 6s 31.33886( 4d//r2// 6s) ii sp3 4d s ii sp3 7s 8.11942( 4d//r2// 7s) ii sp3 4d s ii sp3 8s 4.07979( 4d//r2// 8s) ii sp3 4d s ii sp3 9s 2.59691( 4d//r2// 9s) ii sp3 4d s ii sp3 3d 12.42283( 4d//r2// 3d) ii sp3 4d s ii sp3 4d -83.51393( 4d//r2// 4d) ii sp3 4d s ii sp3 5d 53.98166( 4d//r2// 5d) ii sp3 4d s ii sp3 6d 14.41815( 4d//r2// 6d) ii sp3 4d s ii sp3 7d 7.16094( 4d//r2// 7d) ii sp3 4d s ii sp3 8d 4.50197( 4d//r2// 8d) ii sp3 4d s ii sp3 9d 3.19246( 4d//r2// 9d) ii sp3 5d s ii s2p3 0.23707( 5d//r2// 3s) ii sp3 5d s ii s2p2 4p 0.00000( //r2// ) ii sp3 5d s ii s2p2 5p 0.00000( //r2// ) ii sp3 5d s ii s2p2 6p 0.00000( //r2// ) ii sp3 5d s ii s2p2 7p 0.00000( //r2// ) ii sp3 5d s ii s2p2 8p 0.00000( //r2// ) ii sp3 5d s ii s2p2 9p 0.00000( //r2// ) ii sp3 5d s ii s2p2 4f 0.00000( //r2// ) ii sp3 5d s ii s2p2 5f 0.00000( //r2// ) ii sp3 5d s ii s2p2 6f 0.00000( //r2// ) ii sp3 5d s ii s2p2 7f 0.00000( //r2// ) ii sp3 5d s ii s2p2 8f 0.00000( //r2// ) ii sp3 5d s ii s2p2 9f 0.00000( //r2// ) ii sp3 5d s ii s2p2 6h 0.00000( //r2// ) ii sp3 5d s ii s2p2 7h 0.00000( //r2// ) ii sp3 5d s ii s2p2 8h 0.00000( //r2// ) ii sp3 5d s ii s2p2 9h 0.00000( //r2// ) ii sp3 5d s ii s2p2 8k 0.00000( //r2// ) ii sp3 5d s ii s2p2 9k 0.00000( //r2// ) ii sp3 5d s ii sp3 4s 5.92030( 5d//r2// 4s) ii sp3 5d s ii sp3 5s 68.28918( 5d//r2// 5s) ii sp3 5d s ii sp3 6s -225.71160( 5d//r2// 6s) ii sp3 5d s ii sp3 7s 95.10925( 5d//r2// 7s) ii sp3 5d s ii sp3 8s 23.19341( 5d//r2// 8s) ii sp3 5d s ii sp3 9s 11.24590( 5d//r2// 9s) ii sp3 5d s ii sp3 3d 3.58232( 5d//r2// 3d) ii sp3 5d s ii sp3 4d 53.98166( 5d//r2// 4d) ii sp3 5d s ii sp3 5d -259.95123( 5d//r2// 5d) ii sp3 5d s ii sp3 6d 145.20527( 5d//r2// 6d) ii sp3 5d s ii sp3 7d 37.54656( 5d//r2// 7d) ii sp3 5d s ii sp3 8d 18.19519( 5d//r2// 8d) ii sp3 5d s ii sp3 9d 11.24407( 5d//r2// 9d) ii sp3 6d s ii s2p3 0.12093( 6d//r2// 3s) ii sp3 6d s ii s2p2 4p 0.00000( //r2// ) ii sp3 6d s ii s2p2 5p 0.00000( //r2// ) ii sp3 6d s ii s2p2 6p 0.00000( //r2// ) ii sp3 6d s ii s2p2 7p 0.00000( //r2// ) ii sp3 6d s ii s2p2 8p 0.00000( //r2// ) ii sp3 6d s ii s2p2 9p 0.00000( //r2// ) ii sp3 6d s ii s2p2 4f 0.00000( //r2// ) ii sp3 6d s ii s2p2 5f 0.00000( //r2// ) ii sp3 6d s ii s2p2 6f 0.00000( //r2// ) ii sp3 6d s ii s2p2 7f 0.00000( //r2// ) ii sp3 6d s ii s2p2 8f 0.00000( //r2// ) ii sp3 6d s ii s2p2 9f 0.00000( //r2// ) ii sp3 6d s ii s2p2 6h 0.00000( //r2// ) ii sp3 6d s ii s2p2 7h 0.00000( //r2// ) ii sp3 6d s ii s2p2 8h 0.00000( //r2// ) ii sp3 6d s ii s2p2 9h 0.00000( //r2// ) ii sp3 6d s ii s2p2 8k 0.00000( //r2// ) ii sp3 6d s ii s2p2 9k 0.00000( //r2// ) ii sp3 6d s ii sp3 4s 2.79835( 6d//r2// 4s) ii sp3 6d s ii sp3 5s 18.77869( 6d//r2// 5s) ii sp3 6d s ii sp3 6s 158.28570( 6d//r2// 6s) ii sp3 6d s ii sp3 7s -525.80508( 6d//r2// 7s) ii sp3 6d s ii sp3 8s 221.97231( 6d//r2// 8s) ii sp3 6d s ii sp3 9s 51.81968( 6d//r2// 9s) ii sp3 6d s ii sp3 3d 1.87097( 6d//r2// 3d) ii sp3 6d s ii sp3 4d 14.41815( 6d//r2// 4d) ii sp3 6d s ii sp3 5d 145.20527( 6d//r2// 5d) ii sp3 6d s ii sp3 6d -615.01833( 6d//r2// 6d) ii sp3 6d s ii sp3 7d 314.74569( 6d//r2// 7d) ii sp3 6d s ii sp3 8d 79.26040( 6d//r2// 8d) ii sp3 6d s ii sp3 9d 37.65299( 6d//r2// 9d) ii sp3 7d s ii s2p3 0.07310( 7d//r2// 3s) ii sp3 7d s ii s2p2 4p 0.00000( //r2// ) ii sp3 7d s ii s2p2 5p 0.00000( //r2// ) ii sp3 7d s ii s2p2 6p 0.00000( //r2// ) ii sp3 7d s ii s2p2 7p 0.00000( //r2// ) ii sp3 7d s ii s2p2 8p 0.00000( //r2// ) ii sp3 7d s ii s2p2 9p 0.00000( //r2// ) ii sp3 7d s ii s2p2 4f 0.00000( //r2// ) ii sp3 7d s ii s2p2 5f 0.00000( //r2// ) ii sp3 7d s ii s2p2 6f 0.00000( //r2// ) ii sp3 7d s ii s2p2 7f 0.00000( //r2// ) ii sp3 7d s ii s2p2 8f 0.00000( //r2// ) ii sp3 7d s ii s2p2 9f 0.00000( //r2// ) ii sp3 7d s ii s2p2 6h 0.00000( //r2// ) ii sp3 7d s ii s2p2 7h 0.00000( //r2// ) ii sp3 7d s ii s2p2 8h 0.00000( //r2// ) ii sp3 7d s ii s2p2 9h 0.00000( //r2// ) ii sp3 7d s ii s2p2 8k 0.00000( //r2// ) ii sp3 7d s ii s2p2 9k 0.00000( //r2// ) ii sp3 7d s ii sp3 4s 1.68670( 7d//r2// 4s) ii sp3 7d s ii sp3 5s 9.09330( 7d//r2// 5s) ii sp3 7d s ii sp3 6s 43.78881( 7d//r2// 6s) ii sp3 7d s ii sp3 7s 314.93878( 7d//r2// 7s) ii sp3 7d s ii sp3 8s -1049.85830( 7d//r2// 8s) ii sp3 7d s ii sp3 9s 443.09785( 7d//r2// 9s) ii sp3 7d s ii sp3 3d 1.21201( 7d//r2// 3d) ii sp3 7d s ii sp3 4d 7.16094( 7d//r2// 4d) ii sp3 7d s ii sp3 5d 37.54656( 7d//r2// 5d) ii sp3 7d s ii sp3 6d 314.74569( 7d//r2// 6d) ii sp3 7d s ii sp3 7d -1238.34116( 7d//r2// 7d) ii sp3 7d s ii sp3 8d 597.30408( 7d//r2// 8d) ii sp3 7d s ii sp3 9d 147.14081( 7d//r2// 9d) ii sp3 8d s ii s2p3 0.04921( 8d//r2// 3s) ii sp3 8d s ii s2p2 4p 0.00000( //r2// ) ii sp3 8d s ii s2p2 5p 0.00000( //r2// ) ii sp3 8d s ii s2p2 6p 0.00000( //r2// ) ii sp3 8d s ii s2p2 7p 0.00000( //r2// ) ii sp3 8d s ii s2p2 8p 0.00000( //r2// ) ii sp3 8d s ii s2p2 9p 0.00000( //r2// ) ii sp3 8d s ii s2p2 4f 0.00000( //r2// ) ii sp3 8d s ii s2p2 5f 0.00000( //r2// ) ii sp3 8d s ii s2p2 6f 0.00000( //r2// ) ii sp3 8d s ii s2p2 7f 0.00000( //r2// ) ii sp3 8d s ii s2p2 8f 0.00000( //r2// ) ii sp3 8d s ii s2p2 9f 0.00000( //r2// ) ii sp3 8d s ii s2p2 6h 0.00000( //r2// ) ii sp3 8d s ii s2p2 7h 0.00000( //r2// ) ii sp3 8d s ii s2p2 8h 0.00000( //r2// ) ii sp3 8d s ii s2p2 9h 0.00000( //r2// ) ii sp3 8d s ii s2p2 8k 0.00000( //r2// ) ii sp3 8d s ii s2p2 9k 0.00000( //r2// ) ii sp3 8d s ii sp3 4s 1.15576( 8d//r2// 4s) ii sp3 8d s ii sp3 5s 5.56431( 8d//r2// 5s) ii sp3 8d s ii sp3 6s 21.20842( 8d//r2// 6s) ii sp3 8d s ii sp3 7s 86.44604( 8d//r2// 7s) ii sp3 8d s ii sp3 8s 564.66955( 8d//r2// 8s) ii sp3 8d s ii sp3 9s -1887.31684( 8d//r2// 9s) ii sp3 8d s ii sp3 3d 0.87477( 8d//r2// 3d) ii sp3 8d s ii sp3 4d 4.50197( 8d//r2// 4d) ii sp3 8d s ii sp3 5d 18.19519( 8d//r2// 5d) ii sp3 8d s ii sp3 6d 79.26040( 8d//r2// 6d) ii sp3 8d s ii sp3 7d 597.30408( 8d//r2// 7d) ii sp3 8d s ii sp3 8d -2237.41181( 8d//r2// 8d) ii sp3 8d s ii sp3 9d 1033.87402( 8d//r2// 9d) ii sp3 9d s ii s2p3 0.03566( 9d//r2// 3s) ii sp3 9d s ii s2p2 4p 0.00000( //r2// ) ii sp3 9d s ii s2p2 5p 0.00000( //r2// ) ii sp3 9d s ii s2p2 6p 0.00000( //r2// ) ii sp3 9d s ii s2p2 7p 0.00000( //r2// ) ii sp3 9d s ii s2p2 8p 0.00000( //r2// ) ii sp3 9d s ii s2p2 9p 0.00000( //r2// ) ii sp3 9d s ii s2p2 4f 0.00000( //r2// ) ii sp3 9d s ii s2p2 5f 0.00000( //r2// ) ii sp3 9d s ii s2p2 6f 0.00000( //r2// ) ii sp3 9d s ii s2p2 7f 0.00000( //r2// ) ii sp3 9d s ii s2p2 8f 0.00000( //r2// ) ii sp3 9d s ii s2p2 9f 0.00000( //r2// ) ii sp3 9d s ii s2p2 6h 0.00000( //r2// ) ii sp3 9d s ii s2p2 7h 0.00000( //r2// ) ii sp3 9d s ii s2p2 8h 0.00000( //r2// ) ii sp3 9d s ii s2p2 9h 0.00000( //r2// ) ii sp3 9d s ii s2p2 8k 0.00000( //r2// ) ii sp3 9d s ii s2p2 9k 0.00000( //r2// ) ii sp3 9d s ii sp3 4s 0.85608( 9d//r2// 4s) ii sp3 9d s ii sp3 5s 3.85695( 9d//r2// 5s) ii sp3 9d s ii sp3 6s 12.96752( 9d//r2// 6s) ii sp3 9d s ii sp3 7s 41.58153( 9d//r2// 7s) ii sp3 9d s ii sp3 8s 153.24711( 9d//r2// 8s) ii sp3 9d s ii sp3 9s 938.27841( 9d//r2// 9s) ii sp3 9d s ii sp3 3d 0.67333( 9d//r2// 3d) ii sp3 9d s ii sp3 4d 3.19246( 9d//r2// 4d) ii sp3 9d s ii sp3 5d 11.24407( 9d//r2// 5d) ii sp3 9d s ii sp3 6d 37.65299( 9d//r2// 6d) ii sp3 9d s ii sp3 7d 147.14081( 9d//r2// 7d) ii sp3 9d s ii sp3 8d 1033.87402( 9d//r2// 8d) ii sp3 9d s ii sp3 9d -3737.60634( 9d//r2// 9d)