########################################################### # # SUPPLEMENTARY MATERIAL TO: # # Auxiliary basis sets for density-fitted # correlated wavefunction calculations: # Weighted core-valence and ECP basis sets # for post-d elements # # Christof Haettig, Gunnar Schmitz, Joerg Kossmann # # Lehrstuhl fuer Theoretische Chemie, Ruhr-Universitaet Bochum, # D-44780 Bochum, Germany. # E-mail: christof.haettig@rub.de # # Contains the exponents for the following # auxiliary basis set: # # cc-pV5Z for Ga-Kr: # ga cc-pV5Z # ge cc-pV5Z # as cc-pV5Z # se cc-pV5Z # br cc-pV5Z # kr cc-pV5Z # # cc-pwCVDZ for Ga-Kr: # ga cc-pwCVDZ # ge cc-pwCVDZ # as cc-pwCVDZ # se cc-pwCVDZ # br cc-pwCVDZ # kr cc-pwCVDZ # # cc-pwCVTZ for Ga-Kr: # ga cc-pwCVTZ # ge cc-pwCVTZ # as cc-pwCVTZ # se cc-pwCVTZ # br cc-pwCVTZ # kr cc-pwCVTZ # # cc-pwCVQZ for Ga-Kr: # ga cc-pwCVQZ # ge cc-pwCVQZ # as cc-pwCVQZ # se cc-pwCVQZ # br cc-pwCVQZ # # cc-pwCV5Z for Ga-Kr: # kr cc-pwCVQZ # ga cc-pwCV5Z # ge cc-pwCV5Z # as cc-pwCV5Z # se cc-pwCV5Z # br cc-pwCV5Z # kr cc-pwCV5Z # # cc-pVDZ-PP for Ga-Kr, In-Xe, and Tl-Rn: # ga cc-pVDZ-PP # ge cc-pVDZ-PP # as cc-pVDZ-PP # se cc-pVDZ-PP # br cc-pVDZ-PP # kr cc-pVDZ-PP # in cc-pVDZ-PP # sn cc-pVDZ-PP # sb cc-pVDZ-PP # te cc-pVDZ-PP # i cc-pVDZ-PP # xe cc-pVDZ-PP # tl cc-pVDZ-PP # pb cc-pVDZ-PP # bi cc-pVDZ-PP # po cc-pVDZ-PP # at cc-pVDZ-PP # rn cc-pVDZ-PP # # cc-pVTZ-PP for Ga-Kr, In-Xe, and Tl-Rn: # ga cc-pVTZ-PP # ge cc-pVTZ-PP # as cc-pVTZ-PP # se cc-pVTZ-PP # br cc-pVTZ-PP # kr cc-pVTZ-PP # in cc-pVTZ-PP # sn cc-pVTZ-PP # sb cc-pVTZ-PP # te cc-pVTZ-PP # i cc-pVTZ-PP # xe cc-pVTZ-PP # tl cc-pVTZ-PP # pb cc-pVTZ-PP # bi cc-pVTZ-PP # po cc-pVTZ-PP # at cc-pVTZ-PP # rn cc-pVTZ-PP # # cc-pVQZ-PP for Ga-Kr, In-Xe, and Tl-Rn: # ga cc-pVQZ-PP # ge cc-pVQZ-PP # as cc-pVQZ-PP # se cc-pVQZ-PP # br cc-pVQZ-PP # kr cc-pVQZ-PP # in cc-pVQZ-PP # sn cc-pVQZ-PP # sb cc-pVQZ-PP # te cc-pVQZ-PP # i cc-pVQZ-PP # xe cc-pVQZ-PP # tl cc-pVQZ-PP # pb cc-pVQZ-PP # bi cc-pVQZ-PP # po cc-pVQZ-PP # at cc-pVQZ-PP # rn cc-pVQZ-PP # # cc-pV5Z-PP for Ga-Kr, In-Xe, and Tl-Rn: # ga cc-pV5Z-PP # ge cc-pV5Z-PP # as cc-pV5Z-PP # se cc-pV5Z-PP # br cc-pV5Z-PP # kr cc-pV5Z-PP # in cc-pV5Z-PP # sn cc-pV5Z-PP # sb cc-pV5Z-PP # te cc-pV5Z-PP # i cc-pV5Z-PP # xe cc-pV5Z-PP # tl cc-pV5Z-PP # pb cc-pV5Z-PP # bi cc-pV5Z-PP # po cc-pV5Z-PP # at cc-pV5Z-PP # rn cc-pV5Z-PP # # cc-pwCVDZ-PP for Ga-Kr, In-Xe, and Tl-Rn: # ga cc-pwCVDZ-PP # ge cc-pwCVDZ-PP # as cc-pwCVDZ-PP # se cc-pwCVDZ-PP # br cc-pwCVDZ-PP # kr cc-pwCVDZ-PP # in cc-pwCVDZ-PP # sn cc-pwCVDZ-PP # sb cc-pwCVDZ-PP # te cc-pwCVDZ-PP # i cc-pwCVDZ-PP # xe cc-pwCVDZ-PP # tl cc-pwCVDZ-PP # pb cc-pwCVDZ-PP # bi cc-pwCVDZ-PP # po cc-pwCVDZ-PP # at cc-pwCVDZ-PP # rn cc-pwCVDZ-PP # # cc-pwCVTZ-PP for Ga-Kr, In-Xe, and Tl-Rn: # ga cc-pwCVTZ-PP # ge cc-pwCVTZ-PP # as cc-pwCVTZ-PP # se cc-pwCVTZ-PP # br cc-pwCVTZ-PP # kr cc-pwCVTZ-PP # in cc-pwCVTZ-PP # sn cc-pwCVTZ-PP # sb cc-pwCVTZ-PP # te cc-pwCVTZ-PP # i cc-pwCVTZ-PP # xe cc-pwCVTZ-PP # tl cc-pwCVTZ-PP # pb cc-pwCVTZ-PP # bi cc-pwCVTZ-PP # po cc-pwCVTZ-PP # at cc-pwCVTZ-PP # rn cc-pwCVTZ-PP # # cc-pwCVQZ-PP for Ga-Kr, In-Xe, and Tl-Rn: # ga cc-pwCVQZ-PP # ge cc-pwCVQZ-PP # as cc-pwCVQZ-PP # se cc-pwCVQZ-PP # br cc-pwCVQZ-PP # kr cc-pwCVQZ-PP # in cc-pwCVQZ-PP # sn cc-pwCVQZ-PP # sb cc-pwCVQZ-PP # te cc-pwCVQZ-PP # i cc-pwCVQZ-PP # xe cc-pwCVQZ-PP # tl cc-pwCVQZ-PP # pb cc-pwCVQZ-PP # bi cc-pwCVQZ-PP # po cc-pwCVQZ-PP # at cc-pwCVQZ-PP # rn cc-pwCVQZ-PP # # cc-pwCV5Z-PP for Ga-Kr, In-Xe, and Tl-Rn: # ga cc-pwCV5Z-PP # ge cc-pwCV5Z-PP # as cc-pwCV5Z-PP # se cc-pwCV5Z-PP # br cc-pwCV5Z-PP # kr cc-pwCV5Z-PP # in cc-pwCV5Z-PP # sn cc-pwCV5Z-PP # sb cc-pwCV5Z-PP # te cc-pwCV5Z-PP # i cc-pwCV5Z-PP # xe cc-pwCV5Z-PP # tl cc-pwCV5Z-PP # pb cc-pwCV5Z-PP # bi cc-pwCV5Z-PP # po cc-pwCV5Z-PP # at cc-pwCV5Z-PP # rn cc-pwCV5Z-PP # # diffuse functions for aug-cc-p(wC)VDZ-PP for Ga-Kr, In-Xe, and Tl-Rn: # ga aug-cc-pVDZ-PP diffuse # ge aug-cc-pVDZ-PP diffuse # as aug-cc-pVDZ-PP diffuse # se aug-cc-pVDZ-PP diffuse # br aug-cc-pVDZ-PP diffuse # kr aug-cc-pVDZ-PP diffuse # in aug-cc-pVDZ-PP diffuse # sn aug-cc-pVDZ-PP diffuse # sb aug-cc-pVDZ-PP diffuse # te aug-cc-pVDZ-PP diffuse # i aug-cc-pVDZ-PP diffuse # xe aug-cc-pVDZ-PP diffuse # tl aug-cc-pVDZ-PP diffuse # pb aug-cc-pVDZ-PP diffuse # bi aug-cc-pVDZ-PP diffuse # po aug-cc-pVDZ-PP diffuse # at aug-cc-pVDZ-PP diffuse # rn aug-cc-pVDZ-PP diffuse # # diffuse functions for aug-cc-p(wC)VTZ-PP for Ga-Kr, In-Xe, and Tl-Rn: # ga aug-cc-pVTZ-PP diffuse # ge aug-cc-pVTZ-PP diffuse # as aug-cc-pVTZ-PP diffuse # se aug-cc-pVTZ-PP diffuse # br aug-cc-pVTZ-PP diffuse # kr aug-cc-pVTZ-PP diffuse # in aug-cc-pVTZ-PP diffuse # sn aug-cc-pVTZ-PP diffuse # sb aug-cc-pVTZ-PP diffuse # te aug-cc-pVTZ-PP diffuse # i aug-cc-pVTZ-PP diffuse # xe aug-cc-pVTZ-PP diffuse # tl aug-cc-pVTZ-PP diffuse # pb aug-cc-pVTZ-PP diffuse # bi aug-cc-pVTZ-PP diffuse # po aug-cc-pVTZ-PP diffuse # at aug-cc-pVTZ-PP diffuse # rn aug-cc-pVTZ-PP diffuse # # diffuse functions for aug-cc-p(wC)VQZ-PP for Ga-Kr, In-Xe, and Tl-Rn: # ga aug-cc-pVQZ-PP diffuse # ge aug-cc-pVQZ-PP diffuse # as aug-cc-pVQZ-PP diffuse # se aug-cc-pVQZ-PP diffuse # br aug-cc-pVQZ-PP diffuse # kr aug-cc-pVQZ-PP diffuse # in aug-cc-pVQZ-PP diffuse # sn aug-cc-pVQZ-PP diffuse # sb aug-cc-pVQZ-PP diffuse # te aug-cc-pVQZ-PP diffuse # i aug-cc-pVQZ-PP diffuse # xe aug-cc-pVQZ-PP diffuse # tl aug-cc-pVQZ-PP diffuse # pb aug-cc-pVQZ-PP diffuse # bi aug-cc-pVQZ-PP diffuse # po aug-cc-pVQZ-PP diffuse # at aug-cc-pVQZ-PP diffuse # rn aug-cc-pVQZ-PP diffuse # # diffuse functions for aug-cc-p(wC)V5Z-PP for Ga-Kr, In-Xe, and Tl-Rn: # (note: for Ga-Kr the same functions are used for aug-cc-p(wC)V5Z) # ga aug-cc-pV5Z-PP diffuse # ge aug-cc-pV5Z-PP diffuse # as aug-cc-pV5Z-PP diffuse # se aug-cc-pV5Z-PP diffuse # br aug-cc-pV5Z-PP diffuse # kr aug-cc-pV5Z-PP diffuse # in aug-cc-pV5Z-PP diffuse # sn aug-cc-pV5Z-PP diffuse # sb aug-cc-pV5Z-PP diffuse # te aug-cc-pV5Z-PP diffuse # i aug-cc-pV5Z-PP diffuse # xe aug-cc-pV5Z-PP diffuse # tl aug-cc-pV5Z-PP diffuse # pb aug-cc-pV5Z-PP diffuse # bi aug-cc-pV5Z-PP diffuse # po aug-cc-pV5Z-PP diffuse # at aug-cc-pV5Z-PP diffuse # rn aug-cc-pV5Z-PP diffuse # ########################################################### $cbas * ga cc-pV5Z # ga (15s13p12d10f8g5h3i1k) * 1 s 999.21900000 1 s 443.50300000 1 s 106.57400000 1 s 46.801600000 1 s 25.150900000 1 s 15.026100000 1 s 6.7196100000 1 s 3.1152800000 1 s 1.8360000000 1 s 1.1445900000 1 s 0.67369800000 1 s 0.38487000000 1 s 0.23061400000 1 s 0.12861800000 1 s 0.71489800000E-01 1 p 352.68000000 1 p 105.23600000 1 p 37.326700000 1 p 18.537300000 1 p 9.1095600000 1 p 5.1751100000 1 p 2.5602300000 1 p 1.5111700000 1 p 0.76241100000 1 p 0.45305800000 1 p 0.26739400000 1 p 0.16405300000 1 p 0.97900300000E-01 1 d 147.57900000 1 d 39.266000000 1 d 23.514100000 1 d 9.8462200000 1 d 4.7074400000 1 d 2.9184000000 1 d 1.2703300000 1 d 0.78475600000 1 d 0.52096200000 1 d 0.32831200000 1 d 0.16938900000 1 d 0.82849600000E-01 1 f 75.040200000 1 f 26.792000000 1 f 11.899500000 1 f 5.0199800000 1 f 2.9359900000 1 f 1.3243800000 1 f 0.69325800000 1 f 0.42892100000 1 f 0.27387100000 1 f 0.14562300000 1 g 35.935200000 1 g 13.258600000 1 g 5.7645500000 1 g 1.1809200000 1 g 0.69037900000 1 g 0.40630800000 1 g 0.20598100000 1 g 2.4331500000 1 h 5.3186400000 1 h 2.1859000000 1 h 1.1299000000 1 h 0.68373700000 1 h 0.37310100000 1 i 2.9840100000 1 i 1.3321200000 1 i 0.63289100000 1 k 1.2349700000 * ge cc-pV5Z # ge (15s13p12d10f8g5h3i1k) * 1 s 1203.5600000 1 s 536.80800000 1 s 129.02400000 1 s 56.664800000 1 s 30.449000000 1 s 18.167500000 1 s 8.0873000000 1 s 3.7725800000 1 s 2.2230500000 1 s 1.3857000000 1 s 0.81563400000 1 s 0.46596100000 1 s 0.27919400000 1 s 0.15571200000 1 s 0.86549800000E-01 1 p 422.63300000 1 p 127.40500000 1 p 45.470000000 1 p 22.563200000 1 p 11.110600000 1 p 6.3094400000 1 p 3.0847100000 1 p 1.8021100000 1 p 0.90543200000 1 p 0.54291000000 1 p 0.32284400000 1 p 0.19861100000 1 p 0.11852300000 1 d 172.59100000 1 d 47.528400000 1 d 28.183500000 1 d 11.805700000 1 d 5.6994900000 1 d 3.5329000000 1 d 1.5316000000 1 d 0.94667200000 1 d 0.63040100000 1 d 0.39747900000 1 d 0.20607400000 1 d 0.10031200000 1 f 91.102800000 1 f 32.435900000 1 f 14.229100000 1 f 6.1037500000 1 f 3.4784100000 1 f 1.5697500000 1 f 0.82902100000 1 f 0.51927500000 1 f 0.33515700000 1 f 0.17846400000 1 g 43.302600000 1 g 15.900600000 1 g 6.9788100000 1 g 1.4264100000 1 g 0.83004900000 1 g 0.49411100000 1 g 0.25343100000 1 g 2.9550000000 1 h 6.4390300000 1 h 2.6463700000 1 h 1.3708000000 1 h 0.82536000000 1 h 0.44717000000 1 i 3.6126000000 1 i 1.6107300000 1 i 0.74676200000 1 k 1.4959600000 * as cc-pV5Z # as (15s13p12d10f8g5h3i1k) * 1 s 1448.0600000 1 s 644.37100000 1 s 154.72700000 1 s 67.897300000 1 s 36.223900000 1 s 21.438400000 1 s 9.5483200000 1 s 4.5424800000 1 s 2.6851800000 1 s 1.6665900000 1 s 0.97814500000 1 s 0.56068600000 1 s 0.33806300000 1 s 0.18902300000 1 s 0.10466900000 1 p 508.11300000 1 p 153.22200000 1 p 54.176400000 1 p 26.995400000 1 p 13.399000000 1 p 7.6141600000 1 p 3.6913300000 1 p 2.1364300000 1 p 1.0755700000 1 p 0.65360200000 1 p 0.39191100000 1 p 0.24107600000 1 p 0.14358600000 1 d 206.22900000 1 d 57.276300000 1 d 33.656700000 1 d 13.982900000 1 d 6.8734800000 1 d 4.2701200000 1 d 1.8466200000 1 d 1.1439500000 1 d 0.76081800000 1 d 0.47659100000 1 d 0.24678000000 1 d 0.12083000000 1 f 109.23000000 1 f 38.955100000 1 f 16.721100000 1 f 7.3533000000 1 f 4.1691300000 1 f 1.8696500000 1 f 0.97987100000 1 f 0.61789200000 1 f 0.40443600000 1 f 0.21751000000 1 g 51.900800000 1 g 19.026900000 1 g 8.3588400000 1 g 1.7118200000 1 g 0.98221400000 1 g 0.59018500000 1 g 0.30915700000 1 g 3.5297400000 1 h 7.7264800000 1 h 3.1731800000 1 h 1.6397400000 1 h 0.96828500000 1 h 0.53739700000 1 i 4.3349600000 1 i 1.9332300000 1 i 0.91569000000 1 k 1.8045700000 * se cc-pV5Z # se (15s13p12d10f8g5h3i1k) * 1 s 1594.1300000 1 s 706.55200000 1 s 169.33300000 1 s 74.198300000 1 s 39.039100000 1 s 22.741200000 1 s 10.132100000 1 s 4.9928200000 1 s 2.9736900000 1 s 1.8352500000 1 s 1.0748000000 1 s 0.62166800000 1 s 0.37894500000 1 s 0.21218300000 1 s 0.11643600000 1 p 559.68600000 1 p 169.03200000 1 p 58.329000000 1 p 29.147700000 1 p 14.714000000 1 p 8.4814100000 1 p 4.0903800000 1 p 2.3371200000 1 p 1.2025300000 1 p 0.74731100000 1 p 0.44561500000 1 p 0.26963700000 1 p 0.15949000000 1 d 223.41500000 1 d 63.140100000 1 d 36.467200000 1 d 14.900900000 1 d 7.5465200000 1 d 4.7350800000 1 d 2.0352100000 1 d 1.2658900000 1 d 0.84556400000 1 d 0.52842400000 1 d 0.27309500000 1 d 0.13397400000 1 f 118.34500000 1 f 42.996000000 1 f 17.668500000 1 f 8.0008200000 1 f 4.6475400000 1 f 2.0713900000 1 f 1.0906800000 1 f 0.68614200000 1 f 0.44538200000 1 f 0.23960400000 1 g 56.625200000 1 g 20.571300000 1 g 9.0919200000 1 g 1.8938600000 1 g 1.0726000000 1 g 0.64510900000 1 g 0.33899000000 1 g 3.9537600000 1 h 8.4693300000 1 h 3.4503600000 1 h 1.7782100000 1 h 1.0596200000 1 h 0.56469700000 1 i 4.7223300000 1 i 2.1153000000 1 i 0.96621600000 1 k 1.9900000000 * br cc-pV5Z # br (15s13p12d10f8g5h3i1k) * 1 s 1853.2500000 1 s 817.57500000 1 s 195.57400000 1 s 85.492700000 1 s 43.903000000 1 s 24.976600000 1 s 11.261500000 1 s 5.8690400000 1 s 3.5287700000 1 s 2.1548200000 1 s 1.2549500000 1 s 0.73248100000 1 s 0.45171000000 1 s 0.25309700000 1 s 0.13736500000 1 p 650.00600000 1 p 197.73200000 1 p 67.216700000 1 p 33.829200000 1 p 17.243100000 1 p 9.9334700000 1 p 4.7590700000 1 p 2.6968700000 1 p 1.4121400000 1 p 0.89438300000 1 p 0.53182700000 1 p 0.31924100000 1 p 0.18946800000 1 d 254.80000000 1 d 73.280700000 1 d 41.276900000 1 d 16.637600000 1 d 8.7534000000 1 d 5.5733600000 1 d 2.3817800000 1 d 1.4899000000 1 d 1.0037100000 1 d 0.62866900000 1 d 0.32634200000 1 d 0.15838400000 1 f 135.18300000 1 f 50.232200000 1 f 19.467600000 1 f 8.9733200000 1 f 5.3521600000 1 f 2.3606800000 1 f 1.2606500000 1 f 0.81821000000 1 f 0.53241500000 1 f 0.28236200000 1 g 65.176300000 1 g 23.583500000 1 g 10.430900000 1 g 2.1946300000 1 g 1.2268600000 1 g 0.76254300000 1 g 0.40809800000 1 g 4.5567200000 1 h 9.8082100000 1 h 3.9563300000 1 h 2.0323200000 1 h 1.2233000000 1 h 0.65017100000 1 i 5.4255700000 1 i 2.4489800000 1 i 1.1078700000 1 k 2.3000400000 * kr cc-pV5Z # kr (15s13p12d10f8g5h3i1k) * 1 s 2169.9200000 1 s 956.16300000 1 s 228.68600000 1 s 99.890400000 1 s 50.904000000 1 s 28.793200000 1 s 13.082400000 1 s 6.9220200000 1 s 4.1684700000 1 s 2.5348900000 1 s 1.4721200000 1 s 0.85997100000 1 s 0.53129100000 1 s 0.29768500000 1 s 0.16126700000 1 p 761.10300000 1 p 232.07500000 1 p 78.791900000 1 p 39.699900000 1 p 20.199600000 1 p 11.573500000 1 p 5.5350800000 1 p 3.1360100000 1 p 1.6486100000 1 p 1.0504600000 1 p 0.62665500000 1 p 0.37708900000 1 p 0.22457000000 1 d 296.74900000 1 d 85.734400000 1 d 47.924900000 1 d 19.300400000 1 d 10.249800000 1 d 6.5523700000 1 d 2.8055100000 1 d 1.7577000000 1 d 1.1845000000 1 d 0.74053500000 1 d 0.38612400000 1 d 0.18636400000 1 f 157.72300000 1 f 58.805200000 1 f 22.271700000 1 f 10.356700000 1 f 6.2228900000 1 f 2.7301800000 1 f 1.4690200000 1 f 0.96673100000 1 f 0.62886000000 1 f 0.33052500000 1 g 76.065300000 1 g 27.601400000 1 g 12.149700000 1 g 2.5661900000 1 g 1.4302600000 1 g 0.90307100000 1 g 0.49081900000 1 g 5.2753800000 1 h 11.475600000 1 h 4.6088000000 1 h 2.3625600000 1 h 1.4061200000 1 h 0.75054900000 1 i 6.3316300000 1 i 2.8673300000 1 i 1.2717700000 1 k 2.6880600000 * * ga cc-pwCVDZ # ga (13s12p11d7f5g3h) * 1 s 217.90827180 1 s 31.825176352 1 s 14.741960774 1 s 9.6099767267 1 s 1.9364357282 1 s 1.2843598851 1 s 0.57354107115 1 s 0.20678963784 1 s 0.13785975856 1 p 63.778406255 1 p 13.191466257 1 p 6.6852729698 1 p 1.8801737912 1 p 0.98189418991 1 p 0.45280081480 1 p 0.26509211422 1 p 0.13565722598 1 d 120.80607808 1 d 45.161995150 1 d 6.2388284009 1 d 1.7882531113 1 d 0.84720770384 1 d 0.33046178812 1 d 0.13342008645 1 s 790.99800000 1 s 435.39400000 1 s 84.148500000 1 s 4.0683200000 1 p 468.51400000 1 p 157.89500000 1 p 35.414200000 1 p 3.7774300000 1 d 217.49900000 1 d 66.197000000 1 d 14.125700000 1 d 3.4497800000 1 f 263.79200000 1 f 87.606400000 1 f 21.912800000 1 f 8.2590100000 1 f 2.2743400000 1 f 1.2773500000 1 f 0.31537600000 1 g 27.897300000 1 g 9.5533600000 1 g 3.4149900000 1 g 1.6157200000 1 g 0.65120100000 1 h 12.236700000 1 h 4.6627500000 1 h 2.3207500000 * ge cc-pwCVDZ # ge (13s12p11d7f5g3h) * 1 s 201.23074728 1 s 30.208101548 1 s 15.016065489 1 s 10.010710326 1 s 1.8804455279 1 s 1.2536303520 1 s 0.68098589070 1 s 0.27418506918 1 s 0.15309801489 1 p 67.110520491 1 p 16.918257122 1 p 6.5120145612 1 p 2.0336216450 1 p 1.0082494296 1 p 0.47766090220 1 p 0.20341372097 1 p 0.11535180898 1 d 108.59816367 1 d 49.242356983 1 d 6.9634454947 1 d 2.1672519909 1 d 1.0024180443 1 d 0.43989237445 1 d 0.18150194169 1 s 986.87000000 1 s 473.72700000 1 s 75.862500000 1 s 3.9614200000 1 p 559.87300000 1 p 154.83100000 1 p 41.174300000 1 p 4.7093700000 1 d 232.56500000 1 d 64.591000000 1 d 15.996400000 1 d 3.5715200000 1 f 266.80200000 1 f 98.017000000 1 f 23.511300000 1 f 9.1622900000 1 f 2.7741700000 1 f 1.4218600000 1 f 0.41745300000 1 g 32.100500000 1 g 11.164500000 1 g 4.0887100000 1 g 1.9875300000 1 g 0.85121200000 1 h 13.927900000 1 h 5.6920000000 1 h 2.9219800000 * as cc-pwCVDZ # as (13s12p11d7f5g3h) * 1 s 245.63186462 1 s 38.108337692 1 s 18.972720587 1 s 12.648480392 1 s 2.5544627281 1 s 1.7029751521 1 s 0.93505231484 1 s 0.31946790501 1 s 0.21297860334 1 p 68.356011700 1 p 20.134400531 1 p 6.6205838287 1 p 2.5142370978 1 p 1.0124432681 1 p 0.58986726372 1 p 0.24071613299 1 p 0.11098066824 1 d 108.84563279 1 d 55.240124901 1 d 7.7450933143 1 d 2.2984829481 1 d 1.0673791900 1 d 0.51782675044 1 d 0.23750849918 1 s 1194.8800000 1 s 515.09000000 1 s 97.692100000 1 s 4.5474400000 1 p 578.95700000 1 p 162.84400000 1 p 36.564000000 1 p 4.3139700000 1 d 260.65100000 1 d 76.621200000 1 d 16.855600000 1 d 3.5065700000 1 f 300.87000000 1 f 98.381000000 1 f 23.114500000 1 f 10.147200000 1 f 3.2694700000 1 f 1.5806700000 1 f 0.52720900000 1 g 37.872800000 1 g 13.428700000 1 g 4.9941600000 1 g 2.5431100000 1 g 1.0975600000 1 h 15.204400000 1 h 6.7051200000 1 h 3.5193500000 * se cc-pwCVDZ # se (13s12p11d7f5g3h) * 1 s 273.44313690 1 s 40.292837847 1 s 20.853102850 1 s 13.902068566 1 s 2.8775187476 1 s 1.7496730713 1 s 1.1534691952 1 s 0.36271263384 1 s 0.24180842256 1 p 69.058154609 1 p 21.219802255 1 p 7.8196803345 1 p 2.3982477849 1 p 1.3673273329 1 p 0.66460903889 1 p 0.30219067270 1 p 0.16576839975 1 d 118.99106300 1 d 53.976418814 1 d 8.5532297129 1 d 2.7364851606 1 d 1.2982932309 1 d 0.64314089788 1 d 0.26501598213 1 s 1180.2300000 1 s 547.72400000 1 s 108.82600000 1 s 6.4563500000 1 p 563.80900000 1 p 186.61100000 1 p 45.096600000 1 p 4.6371200000 1 d 280.16300000 1 d 74.488200000 1 d 19.578100000 1 d 4.0613000000 1 f 294.84900000 1 f 103.04200000 1 f 24.941100000 1 f 11.151400000 1 f 3.8665200000 1 f 1.7820200000 1 f 0.62208000000 1 g 41.685400000 1 g 14.831200000 1 g 5.5843300000 1 g 2.8422100000 1 g 1.2664600000 1 h 19.600900000 1 h 8.5603400000 1 h 4.3299300000 * br cc-pwCVDZ # br (13s12p11d7f5g3h) * 1 s 333.72946380 1 s 48.694892430 1 s 28.102417460 1 s 12.528348080 1 s 5.0398266900 1 s 2.0301917400 1 s 0.89705633000 1 s 0.44806404000 1 s 0.26874940000 1 p 70.337895173 1 p 23.758197618 1 p 8.7568960248 1 p 2.4043846801 1 p 1.6029231208 1 p 0.77529190587 1 p 0.34308210759 1 p 0.21198329377 1 d 131.30713064 1 d 56.494491209 1 d 9.4020341079 1 d 3.0067841591 1 d 1.4367392054 1 d 0.74036289088 1 d 0.30605877594 1 s 1175.6500000 1 s 600.93800000 1 s 125.58500000 1 s 7.4483300000 1 p 636.24200000 1 p 192.66500000 1 p 45.714000000 1 p 5.3387300000 1 d 296.02700000 1 d 83.800500000 1 d 20.284500000 1 d 4.3476400000 1 f 300.41400000 1 f 111.60100000 1 f 25.860700000 1 f 12.175100000 1 f 4.4377400000 1 f 1.9902200000 1 f 0.70491200000 1 g 45.699500000 1 g 16.503600000 1 g 6.3972400000 1 g 3.2694000000 1 g 1.4457700000 1 h 19.943400000 1 h 9.8886400000 1 h 5.1018400000 * kr cc-pwCVDZ # kr (13s12p11d7f5g3h) * 1 s 459.27400000 1 s 62.835200000 1 s 36.920800000 1 s 20.910600000 1 s 5.4386100000 1 s 2.8074000000 1 s 1.0540900000 1 s 0.54239000000 1 s 0.29673100000 1 p 71.763411439 1 p 25.639605548 1 p 9.8688608232 1 p 2.4958727281 1 p 1.6639151521 1 p 0.87938471965 1 p 0.36760091602 1 p 0.24506727735 1 d 134.36969125 1 d 60.989347169 1 d 10.258334954 1 d 3.3262680524 1 d 1.9673520902 1 d 0.82838273042 1 d 0.35842842461 1 s 1647.7000000 1 s 542.18800000 1 s 57.379200000 1 s 3.8880300000 1 p 694.33500000 1 p 218.37100000 1 p 43.674900000 1 p 5.7134900000 1 d 316.02300000 1 d 79.954400000 1 d 24.534400000 1 d 5.5557700000 1 f 331.20200000 1 f 117.31800000 1 f 28.334400000 1 f 13.249900000 1 f 5.1356700000 1 f 2.2263200000 1 f 0.85058100000 1 g 54.075600000 1 g 19.485000000 1 g 7.4047000000 1 g 3.9880900000 1 g 1.8255500000 1 h 22.582100000 1 h 10.633900000 1 h 5.5526400000 * * ga cc-pwCVTZ # ga (16s14p13d10f8g5h2i) * 1 s 54.946356678 1 s 28.593635363 1 s 11.065342303 1 s 4.9142301021 1 s 3.4510268965 1 s 1.5375138307 1 s 0.59772448873 1 s 0.40842882453 1 s 0.19785062208 1 s 0.11618487290 1 p 40.851351094 1 p 27.052383163 1 p 6.2848200971 1 p 0.33002833116 1 p 0.19475173952 1 p 0.12229760628 1 d 113.51215150 1 d 27.971178931 1 d 7.1394464142 1 d 2.3190727723 1 d 1.5460485148 1 d 0.49734525350 1 d 0.30881116184 1 d 0.19276442691 1 s 2444.8100000 1 s 498.46600000 1 s 135.97700000 1 s 18.731700000 1 s 6.5748300000 1 s 2.2361700000 1 p 982.27100000 1 p 263.27600000 1 p 94.623800000 1 p 11.012500000 1 p 3.9775300000 1 p 1.9465200000 1 p 1.3682800000 1 p 0.92936600000 1 d 295.87400000 1 d 55.603700000 1 d 11.904900000 1 d 3.9083200000 1 d 0.83489600000 1 f 143.49800000 1 f 78.655400000 1 f 35.452200000 1 f 13.376000000 1 f 8.8090000000 1 f 3.9573000000 1 f 2.3315000000 1 f 1.2981300000 1 f 0.45396600000 1 f 0.22127300000 1 g 47.652200000 1 g 20.822400000 1 g 10.760700000 1 g 6.9246500000 1 g 3.5778300000 1 g 1.8062300000 1 g 1.1609500000 1 g 0.41693000000 1 h 15.442900000 1 h 7.4483700000 1 h 3.1216000000 1 h 1.7211400000 1 h 0.73235400000 1 i 5.0427100000 1 i 2.3410000000 * ge cc-pwCVTZ # ge (16s14p13d10f8g5h2i) * 1 s 69.170110777 1 s 29.498784190 1 s 14.113948025 1 s 6.0618238693 1 s 4.1321435585 1 s 1.7916734846 1 s 0.64153819625 1 s 0.43379387955 1 s 0.22361164784 1 s 0.12751645320 1 p 43.569249569 1 p 29.359083081 1 p 6.4117541194 1 p 0.38183600062 1 p 0.24048765945 1 p 0.14405626866 1 d 124.97009832 1 d 33.310933718 1 d 8.4174466040 1 d 2.6351845314 1 d 1.4582994387 1 d 0.60143527591 1 d 0.33388267020 1 d 0.15503733367 1 s 3021.3700000 1 s 493.33400000 1 s 124.73500000 1 s 21.285300000 1 s 9.5047700000 1 s 2.3296600000 1 p 1100.7800000 1 p 254.05700000 1 p 96.020600000 1 p 11.927300000 1 p 5.3532000000 1 p 2.8178800000 1 p 1.5457100000 1 p 0.89426200000 1 d 291.59900000 1 d 62.866500000 1 d 12.794500000 1 d 4.8621700000 1 d 0.98790800000 1 f 148.65900000 1 f 86.174500000 1 f 43.478300000 1 f 15.756000000 1 f 10.226400000 1 f 5.4583800000 1 f 2.8421800000 1 f 1.5443600000 1 f 0.57245600000 1 f 0.27682800000 1 g 53.728200000 1 g 24.518000000 1 g 13.448800000 1 g 8.2884500000 1 g 4.4183100000 1 g 2.2721000000 1 g 1.4644300000 1 g 0.52447000000 1 h 17.824000000 1 h 8.6053000000 1 h 3.6414600000 1 h 2.0078200000 1 h 0.92425100000 1 i 6.0001300000 1 i 2.8164900000 * as cc-pwCVTZ # as (16s14p13d10f8g5h2i) * 1 s 78.079329988 1 s 34.061560726 1 s 14.656203812 1 s 5.9462564620 1 s 3.9641709747 1 s 1.7326185890 1 s 0.60732196633 1 s 0.41296859584 1 s 0.29077124931 1 s 0.12697127878 1 p 48.124669457 1 p 31.032684135 1 p 6.9148533311 1 p 0.39109263030 1 p 0.26092801111 1 p 0.13975563354 1 d 123.03299372 1 d 38.352085945 1 d 9.1033599848 1 d 2.9844045420 1 d 1.6746624908 1 d 0.73448654575 1 d 0.38977305660 1 d 0.18666005635 1 s 3236.7800000 1 s 526.20000000 1 s 128.78200000 1 s 22.384700000 1 s 9.5904000000 1 s 2.9716300000 1 p 1161.0600000 1 p 266.94700000 1 p 102.95700000 1 p 12.738100000 1 p 5.7965900000 1 p 2.9291300000 1 p 1.7034900000 1 p 0.90116800000 1 d 314.87300000 1 d 62.910300000 1 d 13.881900000 1 d 5.8110000000 1 d 1.1874700000 1 f 172.55000000 1 f 94.920400000 1 f 46.339700000 1 f 17.903400000 1 f 11.046300000 1 f 6.2435300000 1 f 3.0988400000 1 f 1.8015800000 1 f 0.67767300000 1 f 0.34377300000 1 g 61.926100000 1 g 28.200500000 1 g 15.482300000 1 g 9.6196400000 1 g 5.2085100000 1 g 2.7591000000 1 g 1.7940000000 1 g 0.64277400000 1 h 20.339700000 1 h 9.8640700000 1 h 4.2266500000 1 h 2.3181700000 1 h 1.1396600000 1 i 7.0411000000 1 i 3.3404900000 * se cc-pwCVTZ # se (16s14p13d10f8g5h2i) * 1 s 82.506800150 1 s 36.738108911 1 s 15.868872439 1 s 6.0260788091 1 s 4.0388615314 1 s 2.0972319437 1 s 0.78260762210 1 s 0.52092639814 1 s 0.33286874708 1 s 0.15359996852 1 p 52.732965275 1 p 33.085236747 1 p 7.4845779732 1 p 0.54953239001 1 p 0.29710499041 1 p 0.19806999360 1 d 130.14060602 1 d 40.895067483 1 d 9.9689711558 1 d 3.3009871666 1 d 1.9140952104 1 d 0.85530949013 1 d 0.46158424421 1 d 0.20012359184 1 s 3461.8800000 1 s 547.43900000 1 s 140.27200000 1 s 24.275600000 1 s 10.000100000 1 s 3.0639500000 1 p 1274.2500000 1 p 284.36200000 1 p 112.06500000 1 p 14.157100000 1 p 5.7844200000 1 p 3.7280200000 1 p 2.0157100000 1 p 0.98434600000 1 d 334.70800000 1 d 71.782900000 1 d 15.511600000 1 d 6.0481800000 1 d 1.3559800000 1 f 181.37100000 1 f 99.315400000 1 f 49.585700000 1 f 17.972200000 1 f 11.958100000 1 f 6.4854900000 1 f 3.4366400000 1 f 2.0761800000 1 f 0.81417400000 1 f 0.39515100000 1 g 68.116400000 1 g 31.702500000 1 g 17.333300000 1 g 10.939100000 1 g 5.8586100000 1 g 3.1660000000 1 g 2.1197100000 1 g 0.72006600000 1 h 22.496100000 1 h 10.960000000 1 h 4.7561800000 1 h 2.6213400000 1 h 1.2544300000 1 i 8.0625700000 1 i 3.8647900000 * br cc-pwCVTZ # br (16s14p13d10f8g5h2i) * 1 s 88.460152449 1 s 40.086601172 1 s 16.556201440 1 s 6.7634903641 1 s 4.2786701602 1 s 1.6802055793 1 s 0.88211827378 1 s 0.49925377942 1 s 0.29251721237 1 s 0.15714688728 1 p 55.806131262 1 p 35.437022250 1 p 8.2568888687 1 p 0.53965836504 1 p 0.28558290858 1 p 0.15480835338 1 d 141.00006735 1 d 44.092417032 1 d 10.858957210 1 d 3.5140967325 1 d 2.0222091088 1 d 0.99425037270 1 d 0.53298534444 1 d 0.22970761673 1 s 3688.1300000 1 s 570.91700000 1 s 151.95500000 1 s 25.628000000 1 s 11.279300000 1 s 2.7067100000 1 p 1310.8100000 1 p 305.98800000 1 p 112.50500000 1 p 14.401900000 1 p 6.1191300000 1 p 3.5273800000 1 p 1.9181900000 1 p 1.0381300000 1 d 353.15000000 1 d 74.914700000 1 d 15.525300000 1 d 6.2179200000 1 d 1.6055300000 1 f 196.32300000 1 f 104.05500000 1 f 53.746900000 1 f 19.295700000 1 f 13.115200000 1 f 7.0112200000 1 f 3.9385000000 1 f 2.3884500000 1 f 0.95296600000 1 f 0.46349500000 1 g 74.275100000 1 g 33.241700000 1 g 19.284200000 1 g 11.851300000 1 g 6.6631000000 1 g 3.5592900000 1 g 2.5075600000 1 g 0.85734000000 1 h 25.395600000 1 h 12.385000000 1 h 5.4476700000 1 h 3.0207900000 1 h 1.5463400000 1 i 9.1903000000 1 i 4.4383100000 * kr cc-pwCVTZ # kr (16s14p13d10f8g5h2i) * 1 s 87.890063287 1 s 41.428511356 1 s 16.897446445 1 s 8.1213971040 1 s 5.4142647360 1 s 1.5679655386 1 s 1.0453103591 1 s 0.55089225965 1 s 0.30297177420 1 s 0.18393203273 1 p 58.207300668 1 p 38.804867112 1 p 9.1776815824 1 p 0.56543619861 1 p 0.31974777884 1 p 0.16839324985 1 d 164.77743087 1 d 44.218512075 1 d 12.337355419 1 d 3.8308707020 1 d 2.5539138014 1 d 1.0589191426 1 d 0.65393776977 1 d 0.25953258268 1 s 3923.8400000 1 s 578.37000000 1 s 173.99900000 1 s 26.441000000 1 s 11.859800000 1 s 2.9875300000 1 p 1405.2500000 1 p 324.83100000 1 p 119.35900000 1 p 14.448800000 1 p 6.5951300000 1 p 3.7891500000 1 p 1.9729400000 1 p 1.2399200000 1 d 404.46100000 1 d 83.411700000 1 d 16.927700000 1 d 6.7799700000 1 d 1.8332700000 1 f 222.05200000 1 f 111.44300000 1 f 57.099800000 1 f 20.234100000 1 f 14.499500000 1 f 7.4083200000 1 f 4.3937300000 1 f 2.7812500000 1 f 1.1212400000 1 f 0.54121100000 1 g 83.186400000 1 g 36.888700000 1 g 21.507900000 1 g 13.285500000 1 g 7.6784900000 1 g 4.1391600000 1 g 2.9097700000 1 g 1.0236300000 1 h 28.402900000 1 h 13.900200000 1 h 6.1710300000 1 h 3.4167100000 1 h 1.8192200000 1 i 10.467600000 1 i 5.0774100000 * * ga cc-pwCVQZ # ga (16s16p15d12f9g6h4i2k) * 1 s 0.45954923000 1 s 0.25260542000 1 s 0.10759896000 1 s 0.57144780000E-01 1 p 45.495506510 1 p 23.308075010 1 p 3.6455799900 1 p 1.8253191400 1 p 1.0336787800 1 p 0.46847187000 1 p 0.25187404000 1 p 0.13663395000 1 p 0.75145810000E-01 1 d 104.65603899 1 d 26.810654550 1 d 9.0143327800 1 d 3.2987858600 1 d 2.1967021700 1 d 0.68429716000 1 d 0.43807789000 1 d 0.25893762000 1 d 0.15782032000 1 f 0.64210946000 1 f 0.32627960000 1 f 0.15931393000 1 s 2900.6700000 1 s 730.55900000 1 s 181.15600000 1 s 58.599100000 1 s 1.6176300000 1 s 100.32300000 1 s 33.236300000 1 s 12.678900000 1 s 9.2513100000 1 s 5.8495500000 1 s 2.9281600000 1 s 0.85286100000 1 p 1159.0900000 1 p 288.00200000 1 p 142.49500000 1 p 68.587300000 1 p 14.433500000 1 p 8.0151400000 1 p 4.4806100000 1 d 623.51000000 1 d 217.55900000 1 d 49.929500000 1 d 14.160600000 1 d 4.9597700000 1 d 1.2273300000 1 f 191.40300000 1 f 68.200700000 1 f 32.045700000 1 f 15.504700000 1 f 10.111300000 1 f 5.4244300000 1 f 3.7242800000 1 f 1.7088700000 1 f 1.1910600000 1 g 73.624800000 1 g 33.556000000 1 g 9.1365000000 1 g 2.3507100000 1 g 17.313200000 1 g 5.4025000000 1 g 1.4913800000 1 g 0.55991900000 1 g 0.30114400000 1 h 19.196900000 1 h 9.7026900000 1 h 5.4147100000 1 h 2.4229800000 1 h 1.4123500000 1 h 0.51631200000 1 i 12.653300000 1 i 7.3131300000 1 i 2.7704600000 1 i 1.0136900000 1 k 4.8378300000 1 k 2.4123300000 * ge cc-pwCVQZ # 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in (8s9p8d5f4g2h) * 1 s 10.129700000 1 s 5.5055200000 1 s 2.7697200000 1 s 1.1382000000 1 s 0.43245400000 1 s 0.21469000000 1 s 0.97909200000E-01 1 p 4.4508000000 1 p 3.3603800000 1 p 1.6518200000 1 p 0.52436500000 1 p 0.29998500000 1 p 0.12443900000 1 d 9.6894200000 1 d 2.9191600000 1 d 1.1713900000 1 d 0.28037900000 1 d 0.15228000000 1 f 3.7495000000 1 f 0.24495600000 1 g 3.8335900000 1 g 0.51536200000 1 s 1.7755300000 1 p 5.8950500000 1 p 2.3560000000 1 p 0.93067500000 1 d 5.3183600000 1 d 1.8491800000 1 d 0.56381800000 1 f 7.8266100000 1 f 1.5101200000 1 f 0.60820500000 1 g 1.9638500000 1 g 1.0060300000 1 h 3.3956500000 1 h 1.7222800000 * sn cc-pwCVDZ-PP # sn (8s9p8d5f4g2h) * 1 s 10.606000000 1 s 5.7162400000 1 s 2.8654300000 1 s 1.2653900000 1 s 0.49283300000 1 s 0.25124300000 1 s 0.15338000000 1 p 4.9519300000 1 p 3.5189200000 1 p 1.7628200000 1 p 0.63946900000 1 p 0.32482300000 1 p 0.17024200000 1 d 9.8564700000 1 d 3.2476600000 1 d 1.3578100000 1 d 0.34634800000 1 d 0.18358300000 1 f 4.1296300000 1 f 0.31710200000 1 g 4.3819500000 1 g 0.64127900000 1 s 1.9041800000 1 p 6.9685000000 1 p 2.4906300000 1 p 1.0617300000 1 d 5.6577800000 1 d 2.0999300000 1 d 0.68576600000 1 f 8.2184700000 1 f 1.7552600000 1 f 0.74605300000 1 g 2.3092000000 1 g 1.2169000000 1 h 4.1454800000 1 h 2.1086800000 * sb cc-pwCVDZ-PP # sb (8s9p8d5f4g2h) * 1 s 11.671100000 1 s 6.0943200000 1 s 2.9844200000 1 s 1.4415900000 1 s 0.61013100000 1 s 0.29740000000 1 s 0.18087400000 1 p 5.0694700000 1 p 3.8529400000 1 p 1.9289000000 1 p 0.71283000000 1 p 0.37845700000 1 p 0.20216800000 1 d 10.031400000 1 d 3.5620000000 1 d 1.5499500000 1 d 0.42039800000 1 d 0.21552900000 1 f 4.3982300000 1 f 0.38725500000 1 g 4.8610900000 1 g 0.76937100000 1 s 2.0742000000 1 p 6.6701100000 1 p 2.7261600000 1 p 1.1725900000 1 d 5.9776100000 1 d 2.3496600000 1 d 0.80721500000 1 f 8.3272200000 1 f 1.9566700000 1 f 0.87047700000 1 g 2.6294700000 1 g 1.4223300000 1 h 5.0224200000 1 h 2.5078100000 * te cc-pwCVDZ-PP # te (8s9p8d5f4g2h) * 1 s 12.158500000 1 s 6.4970500000 1 s 3.2689300000 1 s 1.6243900000 1 s 0.68262600000 1 s 0.32476500000 1 s 0.19832000000 1 p 5.2707600000 1 p 4.1193000000 1 p 2.2824700000 1 p 0.82241100000 1 p 0.41204100000 1 p 0.23365800000 1 d 10.841100000 1 d 3.8224200000 1 d 1.7675300000 1 d 0.49965300000 1 d 0.23384600000 1 f 4.7486000000 1 f 0.44502200000 1 g 5.3628900000 1 g 0.89260600000 1 s 2.3043500000 1 p 6.7440900000 1 p 3.0663000000 1 p 1.3700800000 1 d 6.4373300000 1 d 2.5992800000 1 d 0.93976100000 1 f 8.6202400000 1 f 2.1569400000 1 f 0.97973700000 1 g 2.9499800000 1 g 1.6227000000 1 h 5.8771600000 1 h 2.9276500000 * i cc-pwCVDZ-PP # i (8s9p8d5f4g2h) * 1 s 12.372200000 1 s 6.7364500000 1 s 3.5252800000 1 s 1.7451500000 1 s 0.83893200000 1 s 0.35998100000 1 s 0.22624500000 1 p 5.8338000000 1 p 4.2782700000 1 p 2.5782200000 1 p 0.98788800000 1 p 0.45515500000 1 p 0.27334700000 1 d 11.087500000 1 d 4.1812400000 1 d 1.9822100000 1 d 0.57993200000 1 d 0.26476500000 1 f 5.1002800000 1 f 0.51015300000 1 g 5.8739000000 1 g 1.0289800000 1 s 2.4803500000 1 p 7.9549000000 1 p 3.3211900000 1 p 1.5959300000 1 d 6.8087800000 1 d 2.8789100000 1 d 1.0721700000 1 f 8.8857200000 1 f 2.3675300000 1 f 1.0990000000 1 g 3.2866500000 1 g 1.8389900000 1 h 6.7750800000 1 h 3.3749400000 * xe cc-pwCVDZ-PP # xe (8s9p8d5f4g2h) * 1 s 12.993400000 1 s 7.1444000000 1 s 3.6109400000 1 s 1.9413900000 1 s 0.99819700000 1 s 0.44957800000 1 s 0.24416400000 1 p 6.3703200000 1 p 4.4399200000 1 p 2.6967700000 1 p 1.1334900000 1 p 0.50235300000 1 p 0.30888600000 1 d 11.729200000 1 d 4.4710800000 1 d 2.2416500000 1 d 0.65818200000 1 d 0.30124800000 1 f 5.4602200000 1 f 0.57828700000 1 g 6.4511700000 1 g 1.1665400000 1 s 2.6476900000 1 p 9.1400200000 1 p 3.4602700000 1 p 1.7483600000 1 d 7.2417000000 1 d 3.1658500000 1 d 1.2146700000 1 f 9.1589300000 1 f 2.5833800000 1 f 1.2222700000 1 g 3.6480300000 1 g 2.0629100000 1 h 7.6861600000 1 h 3.8984500000 * tl cc-pwCVDZ-PP # tl (9s8p7d6f4g2h) * 1 s 6.6573200000 1 s 4.7635200000 1 s 2.9138400000 1 s 1.3002600000 1 s 0.36833200000 1 s 0.16406600000 1 s 0.10889500000 1 p 3.6992500000 1 p 2.6976800000 1 p 1.6759900000 1 p 0.71167800000 1 p 0.28441400000 1 p 0.14242700000 1 d 4.4242900000 1 d 2.7002900000 1 d 1.1168100000 1 d 0.28334600000 1 d 0.13387000000 1 f 2.7108000000 1 f 0.78058400000 1 f 0.24260100000 1 g 2.5315200000 1 g 0.46534500000 1 s 1.9464700000 1 s 0.69204600000 1 p 5.0726700000 1 p 1.0921400000 1 d 1.7365800000 1 d 0.56253300000 1 f 5.0516900000 1 f 1.4546500000 1 f 0.43516700000 1 g 1.4393900000 1 g 0.81842200000 1 h 2.3670100000 1 h 1.3064900000 * pb cc-pwCVDZ-PP # pb (9s8p7d6f4g2h) * 1 s 7.4867900000 1 s 5.1925500000 1 s 3.0973300000 1 s 1.4011300000 1 s 0.43202200000 1 s 0.20305400000 1 s 0.12329400000 1 p 3.9016900000 1 p 2.9767200000 1 p 1.8987500000 1 p 0.74507800000 1 p 0.32161300000 1 p 0.17808900000 1 d 5.2062400000 1 d 2.7424800000 1 d 1.3142900000 1 d 0.33877700000 1 d 0.15824600000 1 f 2.8688500000 1 f 0.92169900000 1 f 0.29362000000 1 g 2.9743900000 1 g 0.53909600000 1 s 2.0832100000 1 s 0.77802200000 1 p 5.1140800000 1 p 1.1894200000 1 d 1.8985300000 1 d 0.66727100000 1 f 5.0613600000 1 f 1.6261000000 1 f 0.52022000000 1 g 1.6832700000 1 g 0.95259900000 1 h 2.7421500000 1 h 1.5135500000 * bi cc-pwCVDZ-PP # bi (9s8p7d6f4g2h) * 1 s 8.4098500000 1 s 5.5583200000 1 s 3.2597600000 1 s 1.5225200000 1 s 0.50928200000 1 s 0.23904400000 1 s 0.14588400000 1 p 3.9947000000 1 p 3.1751400000 1 p 2.1142700000 1 p 0.81676700000 1 p 0.36147700000 1 p 0.20897900000 1 d 5.5810900000 1 d 2.8410300000 1 d 1.5454400000 1 d 0.39173100000 1 d 0.19314600000 1 f 3.0183400000 1 f 1.0849900000 1 f 0.34840900000 1 g 3.2352500000 1 g 0.63607000000 1 s 2.2277900000 1 s 0.88056300000 1 p 5.0258000000 1 p 1.3141000000 1 d 3.9819600000 1 d 0.77807200000 1 f 5.0343000000 1 f 1.8096600000 1 f 0.61483400000 1 g 1.8812200000 1 g 1.0938900000 1 h 3.2354200000 1 h 1.7858100000 * po cc-pwCVDZ-PP # po (9s8p7d6f4g2h) * 1 s 9.0268600000 1 s 5.8432300000 1 s 3.4091400000 1 s 1.6418000000 1 s 0.58175200000 1 s 0.27270400000 1 s 0.16705800000 1 p 4.2019500000 1 p 3.3335600000 1 p 2.1804200000 1 p 0.87738500000 1 p 0.39452100000 1 p 0.23061300000 1 d 6.0792100000 1 d 3.0164100000 1 d 1.7094600000 1 d 0.44984000000 1 d 0.21218100000 1 f 3.1766800000 1 f 1.2537600000 1 f 0.38706600000 1 g 3.4438100000 1 g 0.72032000000 1 s 2.3658200000 1 s 0.97730300000 1 p 5.2965500000 1 p 1.3831400000 1 d 4.2822200000 1 d 0.87691700000 1 f 5.0565300000 1 f 1.9956900000 1 f 0.69662600000 1 g 2.0442500000 1 g 1.2134700000 1 h 3.6639600000 1 h 2.0223500000 * at cc-pwCVDZ-PP # at (9s8p7d6f4g2h) * 1 s 10.243800000 1 s 6.0632700000 1 s 3.5865100000 1 s 1.7312400000 1 s 0.67574300000 1 s 0.31250800000 1 s 0.18443500000 1 p 4.4271300000 1 p 3.4044900000 1 p 2.3424900000 1 p 0.94840900000 1 p 0.41573200000 1 p 0.25677500000 1 d 6.3259900000 1 d 3.1667500000 1 d 1.9355000000 1 d 0.50897700000 1 d 0.23867400000 1 f 3.3267700000 1 f 1.4473500000 1 f 0.43462100000 1 g 3.6669100000 1 g 0.81411400000 1 s 2.4918100000 1 s 1.0816100000 1 p 5.7569500000 1 p 1.4905200000 1 d 4.4758000000 1 d 0.99253500000 1 f 5.0436800000 1 f 2.1943100000 1 f 0.79312600000 1 g 2.2203900000 1 g 1.3444900000 1 h 4.1410500000 1 h 2.2856800000 * rn cc-pwCVDZ-PP # rn (9s8p7d6f4g2h) * 1 s 10.973200000 1 s 6.7309000000 1 s 3.7153500000 1 s 1.8848200000 1 s 0.81073700000 1 s 0.35594400000 1 s 0.20743700000 1 p 4.9677600000 1 p 3.5131500000 1 p 2.4380300000 1 p 1.0201300000 1 p 0.44320000000 1 p 0.27370200000 1 d 6.6468300000 1 d 3.3259700000 1 d 2.1588400000 1 d 0.57105500000 1 d 0.26857700000 1 f 3.4528700000 1 f 1.6781400000 1 f 0.48451000000 1 g 3.9162300000 1 g 0.93117400000 1 s 2.6462700000 1 s 1.2361600000 1 p 7.0246500000 1 p 1.5770600000 1 d 4.7018200000 1 d 1.1103200000 1 f 4.9528600000 1 f 2.4071600000 1 f 0.90170700000 1 g 2.4261800000 1 g 1.5030600000 1 h 4.7364800000 1 h 2.6143400000 * * ga cc-pwCVTZ-PP # ga (10s10p9d8f7g4h2i) * 1 s 26.085300000 1 s 14.027600000 1 s 5.0977000000 1 s 1.4491000000 1 s 0.62846700000 1 s 0.31645200000 1 s 0.18462900000 1 s 0.89763400000E-01 1 p 22.851400000 1 p 15.000400000 1 p 6.9335600000 1 p 2.1187800000 1 p 1.0355000000 1 p 0.45642700000 1 p 0.22801000000 1 p 0.11448400000 1 d 26.004100000 1 d 7.2843800000 1 d 2.0686900000 1 d 1.0982700000 1 d 0.46837600000 1 d 0.21944200000 1 d 0.12131500000 1 f 0.45826900000 1 f 0.19394900000 1 g 6.9609000000 1 g 1.1415100000 1 g 0.43764900000 1 h 1.1052000000 1 s 8.4562700000 1 s 2.7179200000 1 p 10.198300000 1 p 3.8328400000 1 d 13.763100000 1 d 3.8819000000 1 f 34.117800000 1 f 12.845300000 1 f 6.9007000000 1 f 3.7278900000 1 f 1.9549100000 1 f 1.1027300000 1 g 38.876300000 1 g 14.646000000 1 g 3.8101000000 1 g 2.0854900000 1 h 12.162900000 1 h 6.4059700000 1 h 2.5085000000 1 i 4.9450300000 1 i 2.3226700000 * ge cc-pwCVTZ-PP # ge (10s10p9d8f7g4h2i) * 1 s 27.022100000 1 s 14.658300000 1 s 5.7465300000 1 s 1.7408100000 1 s 0.85926900000 1 s 0.46762700000 1 s 0.24356000000 1 s 0.11468300000 1 p 27.054500000 1 p 17.341900000 1 p 7.0497400000 1 p 2.1209100000 1 p 1.1242300000 1 p 0.55398100000 1 p 0.28749700000 1 p 0.16429500000 1 d 27.851900000 1 d 8.1062300000 1 d 2.4892400000 1 d 1.2845200000 1 d 0.58846800000 1 d 0.30050100000 1 d 0.14904600000 1 f 0.57468300000 1 f 0.26450000000 1 g 8.2452200000 1 g 1.4372900000 1 g 0.53698300000 1 h 1.3661300000 1 s 9.1779300000 1 s 3.1628500000 1 p 11.056900000 1 p 3.8667600000 1 d 15.025800000 1 d 4.4920300000 1 f 40.169700000 1 f 14.911100000 1 f 7.9517200000 1 f 4.3157900000 1 f 2.3589800000 1 f 1.3125700000 1 g 44.379100000 1 g 17.452900000 1 g 4.6059200000 1 g 2.5729400000 1 h 13.426000000 1 h 6.9798700000 1 h 2.9304600000 1 i 6.1223300000 1 i 2.8411900000 * as cc-pwCVTZ-PP # as (10s10p9d8f7g4h2i) * 1 s 29.058300000 1 s 15.231100000 1 s 6.5939300000 1 s 2.1108900000 1 s 1.0838700000 1 s 0.61087600000 1 s 0.32241600000 1 s 0.14848100000 1 p 29.156300000 1 p 17.691100000 1 p 7.7999200000 1 p 2.2392800000 1 p 1.2152000000 1 p 0.61125900000 1 p 0.35059200000 1 p 0.19522300000 1 d 30.290800000 1 d 8.8832900000 1 d 2.8117500000 1 d 1.3936100000 1 d 0.72369700000 1 d 0.36976000000 1 d 0.18278900000 1 f 0.70346900000 1 f 0.33584500000 1 g 9.6059500000 1 g 1.7643700000 1 g 0.65304000000 1 h 1.6879200000 1 s 10.021600000 1 s 3.7308300000 1 p 11.746900000 1 p 4.1792600000 1 d 16.403700000 1 d 4.9977600000 1 f 45.884200000 1 f 17.070300000 1 f 8.9205300000 1 f 5.1212000000 1 f 2.8349200000 1 f 1.4831600000 1 g 51.578000000 1 g 20.450300000 1 g 5.4603900000 1 g 3.1038900000 1 h 14.992200000 1 h 7.8198900000 1 h 3.4132100000 1 i 7.4380900000 1 i 3.4243900000 * se cc-pwCVTZ-PP # se (10s10p9d8f7g4h2i) * 1 s 31.350700000 1 s 16.349000000 1 s 7.1539500000 1 s 2.3080700000 1 s 1.2166900000 1 s 0.69281800000 1 s 0.38990600000 1 s 0.16616000000 1 p 33.692000000 1 p 19.606300000 1 p 8.4766100000 1 p 2.4987900000 1 p 1.3901000000 1 p 0.67597900000 1 p 0.42099200000 1 p 0.22624000000 1 d 32.333600000 1 d 9.7474200000 1 d 3.2440600000 1 d 1.6270400000 1 d 0.85315600000 1 d 0.45197400000 1 d 0.21479500000 1 f 0.84291000000 1 f 0.39772300000 1 g 10.837000000 1 g 2.0890700000 1 g 0.72838500000 1 h 1.9346000000 1 s 10.814800000 1 s 4.0634700000 1 p 12.891700000 1 p 4.6023100000 1 d 17.753000000 1 d 5.6232700000 1 f 49.819000000 1 f 19.013500000 1 f 10.194700000 1 f 5.8047900000 1 f 3.2338500000 1 f 1.7579200000 1 g 57.991700000 1 g 23.334400000 1 g 6.2602300000 1 g 3.6163600000 1 h 16.688100000 1 h 8.5144700000 1 h 3.8917400000 1 i 8.4972900000 1 i 3.9944300000 * br cc-pwCVTZ-PP # 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tl (1s1p1d1f1g1h) * 1 s 0.17968300000E-01 1 p 0.33731700000E-01 1 d 0.31091900000E-01 1 f 0.55115600000E-01 1 g 0.15401300000 1 h 0.34310900000 * pb aug-cc-pVTZ-PP diffuse pb aug-cc-pwCVTZ-PP diffuse # pb (1s1p1d1f1g1h) * 1 s 0.34564700000E-01 1 p 0.53317900000E-01 1 d 0.50969000000E-01 1 f 0.80199900000E-01 1 g 0.18373300000 1 h 0.36039000000 * bi aug-cc-pVTZ-PP diffuse bi aug-cc-pwCVTZ-PP # bi (1s1p1d1f1g1h) * 1 s 0.43674000000E-01 1 p 0.66843600000E-01 1 d 0.56668500000E-01 1 f 0.94403400000E-01 1 g 0.19668200000 1 h 0.41124000000 * po aug-cc-pVTZ-PP diffuse po aug-cc-pwCVTZ-PP diffuse # po (1s1p1d1f1g1h) * 1 s 0.52182700000E-01 1 p 0.79377400000E-01 1 d 0.67926500000E-01 1 f 0.11367200000 1 g 0.22235200000 1 h 0.45412500000 * at aug-cc-pVTZ-PP diffuse at aug-cc-pwCVTZ-PP diffuse # at (1s1p1d1f1g1h) * 1 s 0.65300100000E-01 1 p 0.93760200000E-01 1 d 0.84902600000E-01 1 f 0.13768800000 1 g 0.28209300000 1 h 0.51295300000 * rn aug-cc-pVTZ-PP diffuse rn aug-cc-pwCVTZ-PP diffuse # rn (1s1p1d1f1g1h) * 1 s 0.96410200000E-01 1 p 0.12399200000 1 d 0.99273100000E-01 1 f 0.18605600000 1 g 0.36197300000 1 h 0.60393000000 * * ga aug-cc-pVQZ-PP diffuse ga aug-cc-pwCVQZ-PP diffuse # ga (1s1p1d1f1g1h1i) * 1 s 0.25862000000E-01 1 p 0.29183100000E-01 1 d 0.41242800000E-01 1 f 0.40056800000E-01 1 g 0.88585800000E-01 1 h 0.25807900000 1 i 0.54272600000 * ge aug-cc-pVQZ-PP diffuse ge aug-cc-pwCVQZ-PP diffuse # ge (1s1p1d1f1g1h1i) * 1 s 0.41507000000E-01 1 p 0.51740800000E-01 1 d 0.57231900000E-01 1 f 0.79389800000E-01 1 g 0.14779200000 1 h 0.32626900000 1 i 0.67083300000 * as aug-cc-pVQZ-PP diffuse as aug-cc-pwCVQZ-PP diffuse # as (1s1p1d1f1g1h1i) * 1 s 0.34391600000E-01 1 p 0.68921700000E-01 1 d 0.48343800000E-01 1 f 0.90501000000E-01 1 g 0.17563800000 1 h 0.33885400000 1 i 0.76584700000 * se aug-cc-pVQZ-PP diffuse se aug-cc-pwCVQZ-PP diffuse # se (1s1p1d1f1g1h1i) * 1 s 0.48017200000E-01 1 p 0.77671800000E-01 1 d 0.60325400000E-01 1 f 0.11683000000 1 g 0.20613300000 1 h 0.39043400000 1 i 0.78470600000 * br aug-cc-pVQZ-PP diffuse br aug-cc-pwCVQZ-PP diffuse # br (1s1p1d1f1g1h1i) * 1 s 0.54149300000E-01 1 p 0.65260100000E-01 1 d 0.74573100000E-01 1 f 0.14371000000 1 g 0.27023900000 1 h 0.46405300000 1 i 1.0850200000 * kr aug-cc-pVQZ-PP diffuse kr aug-cc-pwCVQZ-PP diffuse # kr (1s1p1d1f1g1h1i) * 1 s 0.35431500000E-01 1 p 0.92178300000E-01 1 d 0.53721700000E-01 1 f 0.18945400000 1 g 0.35786200000 1 h 0.56359000000 1 i 1.0932900000 * in aug-cc-pVQZ-PP diffuse in aug-cc-pwCVQZ-PP diffuse # in (1s1p1d1f1g1h1i) * 1 s 0.19597300000E-01 1 p 0.32142700000E-01 1 d 0.28476100000E-01 1 f 0.43873700000E-01 1 g 0.93875700000E-01 1 h 0.21074000000 1 i 0.43571800000 * sn aug-cc-pVQZ-PP diffuse sn aug-cc-pwCVQZ-PP diffuse # sn (1s1p1d1f1g1h1i) * 1 s 0.28711600000E-01 1 p 0.31894900000E-01 1 d 0.38840400000E-01 1 f 0.66698500000E-01 1 g 0.12835000000 1 h 0.26601600000 1 i 0.42660000000 * sb aug-cc-pVQZ-PP diffuse sb aug-cc-pwCVQZ-PP diffuse # sb (1s1p1d1f1g1h1i) * 1 s 0.33050000000E-01 1 p 0.42319800000E-01 1 d 0.44139900000E-01 1 f 0.76740100000E-01 1 g 0.14072500000 1 h 0.25788200000 1 i 0.48418500000 * te aug-cc-pVQZ-PP diffuse te aug-cc-pwCVQZ-PP diffuse # te (1s1p1d1f1g1h1i) * 1 s 0.44687200000E-01 1 p 0.46873000000E-01 1 d 0.57904800000E-01 1 f 0.10125300000 1 g 0.16073000000 1 h 0.28989300000 1 i 0.66822700000 * i aug-cc-pVQZ-PP diffuse i aug-cc-pwCVQZ-PP diffuse # i (1s1p1d1f1g1h1i) * 1 s 0.51187800000E-01 1 p 0.55305800000E-01 1 d 0.72914600000E-01 1 f 0.14277100000 1 g 0.21414700000 1 h 0.35876000000 1 i 0.76291000000 * xe aug-cc-pVQZ-PP diffuse xe aug-cc-pwCVQZ-PP diffuse # xe (1s1p1d1f1g1h1i) * 1 s 0.74144800000E-01 1 p 0.75618700000E-01 1 d 0.88541300000E-01 1 f 0.17208000000 1 g 0.33298100000 1 h 0.46534600000 1 i 1.0122400000 * tl aug-cc-pVQZ-PP diffuse tl aug-cc-pwCVQZ-PP diffuse # tl (1s1p1d1f1g1h1i) * 1 s 0.36284900000E-01 1 p 0.17514600000E-01 1 d 0.40643300000E-01 1 f 0.56729000000E-01 1 g 0.90251500000E-01 1 h 0.23023800000 1 i 0.38492100000 * pb aug-cc-pVQZ-PP diffuse pb aug-cc-pwCVQZ-PP diffuse # pb (1s1p1d1f1g1h1i) * 1 s 0.18577600000E-01 1 p 0.34803000000E-01 1 d 0.36154500000E-01 1 f 0.67740300000E-01 1 g 0.11873100000 1 h 0.26859900000 1 i 0.40676600000 * bi aug-cc-pVQZ-PP diffuse bi aug-cc-pwCVQZ-PP diffuse # bi (1s1p1d1f1g1h1i) * 1 s 0.20095800000E-01 1 p 0.38546000000E-01 1 d 0.41118100000E-01 1 f 0.75882700000E-01 1 g 0.13606500000 1 h 0.25792700000 1 i 0.43586800000 * po aug-cc-pVQZ-PP diffuse po aug-cc-pwCVQZ-PP diffuse # po (1s1p1d1f1g1h1i) * 1 s 0.21692900000E-01 1 p 0.39826700000E-01 1 d 0.49951000000E-01 1 f 0.90860400000E-01 1 g 0.14785400000 1 h 0.27888600000 1 i 0.41894500000 * at aug-cc-pVQZ-PP diffuse at aug-cc-pwCVQZ-PP diffuse # at (1s1p1d1f1g1h1i) * 1 s 0.21993900000E-01 1 p 0.41622700000E-01 1 d 0.67122000000E-01 1 f 0.10980300000 1 g 0.18163500000 1 h 0.33335200000 1 i 0.46235000000 * rn aug-cc-pVQZ-PP diffuse rn aug-cc-pwCVQZ-PP diffuse # rn (1s1p1d1f1g1h1i) * 1 s 0.23441100000E-01 1 p 0.43498900000E-01 1 d 0.91339000000E-01 1 f 0.15683900000 1 g 0.25906400000 1 h 0.38929100000 1 i 0.45929400000 * * ga aug-cc-pV5Z diffuse ga aug-cc-pwCV5Z diffuse ga aug-cc-pV5Z-PP diffuse ga aug-cc-pwCV5Z-PP diffuse # ga (1s1p1d1f1g1h1i1k) * 1 s 0.19445500000E-01 1 p 0.29313800000E-01 1 d 0.28636600000E-01 1 f 0.45814800000E-01 1 g 0.85083100000E-01 1 h 0.16564400000 1 i 0.34068000000 1 k 0.66934900000 * ge aug-cc-pV5Z diffuse ge aug-cc-pwCV5Z diffuse ge aug-cc-pV5Z-PP diffuse ge aug-cc-pwCV5Z-PP diffuse # ge (1s1p1d1f1g1h1i1k) * 1 s 0.36706500000E-01 1 p 0.44517400000E-01 1 d 0.49750400000E-01 1 f 0.69832400000E-01 1 g 0.11773300000 1 h 0.21911700000 1 i 0.36522300000 1 k 0.77206900000 * as aug-cc-pV5Z diffuse as aug-cc-pwCV5Z diffuse as aug-cc-pV5Z-PP diffuse as aug-cc-pwCV5Z-PP diffuse # as (1s1p1d1f1g1h1i1k) * 1 s 0.30103600000E-01 1 p 0.60264800000E-01 1 d 0.43150400000E-01 1 f 0.77448100000E-01 1 g 0.13613700000 1 h 0.24769700000 1 i 0.43458100000 1 k 0.96450900000 * se aug-cc-pV5Z diffuse se aug-cc-pwCV5Z diffuse se aug-cc-pV5Z-PP diffuse se aug-cc-pwCV5Z-PP diffuse # se (1s1p1d1f1g1h1i1k) * 1 s 0.39164700000E-01 1 p 0.69091100000E-01 1 d 0.54165500000E-01 1 f 0.99353700000E-01 1 g 0.16484800000 1 h 0.27598900000 1 i 0.50063700000 1 k 1.1828500000 * br aug-cc-pV5Z diffuse br aug-cc-pwCV5Z diffuse br aug-cc-pV5Z-PP diffuse br aug-cc-pwCV5Z-PP diffuse # br (1s1p1d1f1g1h1i1k) * 1 s 0.54692000000E-01 1 p 0.78892300000E-01 1 d 0.78485900000E-01 1 f 0.12556700000 1 g 0.22090200000 1 h 0.32872100000 1 i 0.60235900000 1 k 1.2655000000 * kr aug-cc-pV5Z diffuse kr aug-cc-pwCV5Z diffuse kr aug-cc-pV5Z-PP diffuse kr aug-cc-pwCV5Z-PP diffuse # kr (1s1p1d1f1g1h1i1k) * 1 s 0.82845400000E-01 1 p 0.77345900000E-01 1 d 0.10346600000 1 f 0.17473900000 1 g 0.28967100000 1 h 0.40389800000 1 i 0.73975400000 1 k 1.4244300000 * in aug-cc-pV5Z-PP diffuse in aug-cc-pwCV5Z-PP diffuse # in (1s1p1d1f1g1h1i1k) * 1 s 0.18472600000E-01 1 p 0.26542000000E-01 1 d 0.26437800000E-01 1 f 0.41584100000E-01 1 g 0.82670600000E-01 1 h 0.14061500000 1 i 0.24316900000 1 k 0.66939000000 * sn aug-cc-pV5Z-PP diffuse sn aug-cc-pwCV5Z-PP diffuse # sn (1s1p1d1f1g1h1i1k) * 1 s 0.34580900000E-01 1 p 0.42761500000E-01 1 d 0.46700900000E-01 1 f 0.59263400000E-01 1 g 0.10102200000 1 h 0.17821400000 1 i 0.29979300000 1 k 0.70949800000 * sb aug-cc-pV5Z-PP diffuse sb aug-cc-pwCV5Z-PP diffuse # sb (1s1p1d1f1g1h1i1k) * 1 s 0.27385300000E-01 1 p 0.48860600000E-01 1 d 0.37842100000E-01 1 f 0.68137100000E-01 1 g 0.11066400000 1 h 0.19636100000 1 i 0.34438800000 1 k 0.88541300000 * te aug-cc-pV5Z-PP diffuse te aug-cc-pwCV5Z-PP diffuse # te(1s1p1d1f1g1h1i1k) * 1 s 0.37484000000E-01 1 p 0.42586300000E-01 1 d 0.48653800000E-01 1 f 0.85978800000E-01 1 g 0.13087900000 1 h 0.21395200000 1 i 0.39186500000 1 k 1.0575800000 * i aug-cc-pV5Z-PP diffuse i aug-cc-pwCV5Z-PP diffuse # i (1s1p1d1f1g1h1i1k) * 1 s 0.38196000000E-01 1 p 0.45463100000E-01 1 d 0.74055000000E-01 1 f 0.11867300000 1 g 0.17135300000 1 h 0.24624500000 1 i 0.46639400000 1 k 1.1294200000 * xe aug-cc-pV5Z-PP diffuse xe aug-cc-pwCV5Z-PP diffuse # xe (1s1p1d1f1g1h1i1k) * 1 s 0.43757300000E-01 1 p 0.41422200000E-01 1 d 0.50414900000E-01 1 f 0.12023700000 1 g 0.22815600000 1 h 0.32461200000 1 i 0.60615500000 1 k 1.2090700000 * tl aug-cc-pV5Z-PP diffuse tl aug-cc-pwCV5Z-PP diffuse # tl (1s1p1d1f1g1h1i1k) * 1 s 0.16902000000E-01 1 p 0.27627800000E-01 1 d 0.23239800000E-01 1 f 0.40550700000E-01 1 g 0.70549800000E-01 1 h 0.14415400000 1 i 0.25683300000 1 k 0.63007400000 * pb aug-cc-pV5Z-PP diffuse pb aug-cc-pwCV5Z-PP diffuse # pb (1s1p1d1f1g1h1i1k) * 1 s 0.29138100000E-01 1 p 0.37508000000E-01 1 d 0.41693400000E-01 1 f 0.58506200000E-01 1 g 0.97185100000E-01 1 h 0.17269100000 1 i 0.30219700000 1 k 0.76673500000 * bi aug-cc-pV5Z-PP diffuse bi aug-cc-pwCV5Z-PP diffuse # bi (1s1p1d1f1g1h1i1k) * 1 s 0.24909500000E-01 1 p 0.51334800000E-01 1 d 0.35435400000E-01 1 f 0.59759000000E-01 1 g 0.10585500000 1 h 0.18824600000 1 i 0.33172100000 1 k 0.82990900000 * po aug-cc-pV5Z-PP diffuse po aug-cc-pwCV5Z-PP diffuse # po (1s1p1d1f1g1h1i1k) * 1 s 0.31459100000E-01 1 p 0.53659300000E-01 1 d 0.44041300000E-01 1 f 0.76329200000E-01 1 g 0.12576300000 1 h 0.20126400000 1 i 0.36429400000 1 k 0.90505100000 * at aug-cc-pV5Z-PP diffuse at aug-cc-pwCV5Z-PP diffuse # at (1s1p1d1f1g1h1i1k) * 1 s 0.42262000000E-01 1 p 0.42755200000E-01 1 d 0.64212300000E-01 1 f 0.93051900000E-01 1 g 0.16451600000 1 h 0.23018300000 1 i 0.42570300000 1 k 0.99031200000 * rn aug-cc-pV5Z-PP diffuse rn aug-cc-pwCV5Z-PP diffuse # rn (1s1p1d1f1g1h1i1k) * 1 s 0.50281400000E-01 1 p 0.43329900000E-01 1 d 0.70949900000E-01 1 f 0.12937500000 1 g 0.18762500000 1 h 0.27667400000 1 i 0.50906300000 1 k 1.0346600000 * $end