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integer, parameter, public | qmmm_gaussian_data::min_geep_lib_gauss = 2 |
|
integer, parameter, public | qmmm_gaussian_data::max_geep_lib_gauss = 18 |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g2_rc = 1.30_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g2_a1 = 0.121492_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g2_b1 = 3.85695_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g2_a2 = 0.104509_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g2_b2 = 2.72971_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g3_rc = 1.17_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g3_a1 = 0.1142400_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g3_b1 = 3.08635_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g3_a2 = 0.0867876_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g3_b2 = 2.38345_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g3_a3 = 0.0971514_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g3_b3 = 4.35065_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g4_rc = 1.05_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g4_a1 = 0.0776927_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g4_b1 = 2.10429_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g4_a2 = 0.1123350_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g4_b2 = 2.59523_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g4_a3 = 0.0812506_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g4_b3 = 4.73860_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g4_a4 = 0.0989222_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g4_b4 = 3.44579_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g5_rc = 0.9_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g5_a1 = 0.0728205_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g5_b1 = 4.98419_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g5_a2 = 0.0797713_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g5_b2 = 1.78985_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g5_a3 = 0.0885763_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g5_b3 = 3.68614_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g5_a4 = 0.1104310_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g5_b4 = 2.78214_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g5_a5 = 0.1211280_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g5_b5 = 2.15508_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g6_rc = 0.9_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g6_a1 = 0.0863850_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g6_b1 = 3.20872_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g6_a2 = 0.0704031_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g6_b2 = 4.12508_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g6_a3 = 0.0604464_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g6_b3 = 5.40108_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g6_a4 = 0.1029610_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g6_b4 = 2.04751_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g6_a5 = 0.1020950_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g6_b5 = 2.52820_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g6_a6 = 0.0621064_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g6_b6 = 1.76831_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g7_rc = 0.85_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g7_a1 = 0.0969005_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::g7_b1 = 1.88076_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g7_a2 = 0.0556821_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g7_b2 = 1.65955_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g7_a3 = 0.0607934_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g7_b3 = 4.42485_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g7_a4 = 0.0888440_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g7_b4 = 2.79941_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g7_a5 = 0.0535919_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g7_b5 = 5.68373_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g7_a6 = 0.0736222_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g7_b6 = 3.50534_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g7_a7 = 0.1011310_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g7_b7 = 2.26261_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_rc = 0.80_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_a1 = 0.0557370_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_b1 = 1.55883_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_a2 = 0.0450800_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_b2 = 6.02024_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_a3 = 0.0496262_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_b3 = 4.82212_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_a4 = 0.0757863_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_b4 = 3.16120_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_a5 = 0.0608617_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_b5 = 3.90652_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_a6 = 0.1040810_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_b6 = 2.09075_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_a7 = 0.0983610_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_b7 = 1.75423_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_a8 = 0.0920273_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g8_b8 = 2.55933_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_rc = 0.70_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_a1 = 0.1152140_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_b1 = 1.54224_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_a2 = 0.0280838_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_b2 = 5.91022_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_a3 = 0.0718097_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_b3 = 3.54224_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_a4 = 0.0585113_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_b4 = 4.44860_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_a5 = 0.1068470_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_b5 = 2.27491_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_a6 = 0.0883974_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_b6 = 2.83230_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_a7 = 0.1211100_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_b7 = 1.84735_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_a8 = 0.0273353_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_b8 = 5.52297_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_a9 = 0.0657478_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g9_b9 = 1.36539_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_rc = 0.60_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_a1 = 0.1005460_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_b1 = 2.49407_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_a2 = 0.1246370_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_b2 = 1.99718_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_a3 = 0.0492434_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_b3 = 4.70767_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_a4 = 0.0785904_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_b4 = 3.10735_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_a5 = 0.0242791_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_b5 = 5.81268_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_a6 = 0.0229056_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_b6 = 5.92886_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_a7 = 0.0606229_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_b7 = 3.83892_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_a8 = 0.1442920_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_b8 = 1.61113_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_a9 = 0.0814189_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_b9 = 1.17276_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_a10 = 0.1401800_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g10_b10 = 1.33402_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_rc = 0.50_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_a1 = 0.1041690_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_b1 = 0.979627_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_a2 = 0.0271666_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_b2 = 5.799740_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_a3 = 0.0200111_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_b3 = 5.799660_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_a4 = 0.0483906_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_b4 = 4.203330_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_a5 = 0.1777430_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_b5 = 1.370190_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_a6 = 0.0731972_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_b6 = 3.415900_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_a7 = 0.0950076_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_b7 = 2.724470_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_a8 = 0.0295802_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_b8 = 4.825220_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_a9 = 0.1212380_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_b9 = 2.162170_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_a10 = 0.1513510_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_b10 = 1.714860_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_a11 = 0.1760780_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g11_b11 = 1.123400_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_rc = 0.40_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_a1 = 0.1420750_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_b1 = 0.786470_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_a2 = 0.0880114_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_b2 = 2.942550_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_a3 = 0.0645509_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_b3 = 3.669640_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_a4 = 0.1505330_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_b4 = 1.826690_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_a5 = 0.0183100_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_b5 = 5.965520_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_a6 = 0.0182645_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_b6 = 5.965520_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_a7 = 0.1160340_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_b7 = 2.326450_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_a8 = 0.0449121_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_b8 = 4.458350_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_a9 = 0.0264801_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_b9 = 5.182710_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_a10 = 0.2338230_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_b10 = 0.912631_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_a11 = 0.2295300_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_b11 = 1.128850_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_a12 = 0.1911980_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g12_b12 = 1.431550_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_rc = 0.30_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_a1 = 0.2001960_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_b1 = 0.591285_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_a2 = 0.0884682_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_b2 = 2.958380_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_a3 = 0.1999450_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_b3 = 1.420640_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_a4 = 0.3235490_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_b4 = 0.691636_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_a5 = 0.0636926_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_b5 = 3.693610_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_a6 = 0.0409795_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_b6 = 4.450810_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_a7 = 0.1172330_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_b7 = 2.332480_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_a8 = 0.0278787_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_b8 = 5.119550_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_a9 = 0.0187190_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_b9 = 5.952110_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_a10 = 0.0187159_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_b10 = 5.952110_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_a11 = 0.3118340_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_b11 = 0.863435_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_a12 = 0.2562320_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_b12 = 1.104410_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_a13 = 0.1535690_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g13_b13 = 1.824620_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_rc = 0.20_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_a1 = 0.3778350_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_b1 = 0.786779_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_a2 = 0.0944711_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_b2 = 2.781090_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_a3 = 0.0204159_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_b3 = 5.876050_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_a4 = 0.0204239_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_b4 = 5.876050_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_a5 = 0.2884320_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_b5 = 1.023350_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_a6 = 0.2186240_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_b6 = 1.326440_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_a7 = 0.0700271_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_b7 = 3.483220_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_a8 = 0.1656890_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_b8 = 1.710300_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_a9 = 0.0493301_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_b9 = 4.268870_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_a10 = 0.1254840_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_b10 = 2.190730_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_a11 = 0.0303071_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_b11 = 4.999930_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_a12 = 0.5269670_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_b12 = 0.475269_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_a13 = 0.3496170_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_b13 = 0.397232_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_a14 = 0.4776640_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g14_b14 = 0.605916_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_rc = 0.10_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a1 = 1.3606800_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b1 = 0.310940_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a2 = 0.0266233_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b2 = 5.801190_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a3 = 0.3896280_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b3 = 0.813967_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a4 = 0.0155094_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b4 = 5.800280_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a5 = 0.5574040_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b5 = 0.609044_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a6 = 0.8507370_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b6 = 0.443840_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a7 = 0.1590220_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b7 = 1.808170_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a8 = 0.2837530_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b8 = 1.071380_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a9 = 0.0645391_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b9 = 3.723390_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a10 = 0.0241980_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b10 = 4.946500_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a11 = 0.0344342_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b11 = 4.462030_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a12 = 0.2112170_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b12 = 1.396840_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a13 = 0.1202950_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b13 = 2.325120_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a14 = 0.0904425_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b14 = 2.965550_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_a15 = 1.6040000_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g15_b15 = 0.216434_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_rc = 0.10_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a1 = 1.5843100_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b1 = 0.215959_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a2 = 0.0253725_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b2 = 5.737070_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a3 = 0.1191710_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b3 = 2.233620_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a4 = 0.2848860_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b4 = 1.050490_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a5 = 0.0134257_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b5 = 5.720440_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a6 = 0.0269327_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b6 = 4.542090_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a7 = 0.0888076_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b7 = 2.807370_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a8 = 0.3907140_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b8 = 0.801210_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a9 = 0.5584020_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b9 = 0.601540_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a10 = 0.0674428_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b10 = 3.477020_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a11 = 0.0167448_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b11 = 5.320770_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a12 = 0.2120830_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b12 = 1.363230_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a13 = 0.0363796_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b13 = 4.204950_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a14 = 0.8512990_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b14 = 0.439692_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a15 = 0.1591170_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b15 = 1.753690_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_a16 = 1.3566500_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g16_b16 = 0.308985_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_rc = 0.10_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a1 = 0.0286263_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b1 = 5.897570_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a2 = 1.3621700_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b2 = 0.210930_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a3 = 0.8582340_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b3 = 0.396804_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a4 = 0.0918589_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b4 = 2.514930_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a5 = 0.2314390_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b5 = 1.077620_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a6 = 1.3030900_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b6 = 0.288252_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a7 = 0.1437920_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b7 = 1.658970_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a8 = 0.3010060_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b8 = 0.860535_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a9 = 0.0274321_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b9 = 5.099500_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a10 = 0.1814220_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b10 = 1.340220_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a11 = 0.4046220_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b11 = 0.679621_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a12 = 0.0735338_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b12 = 3.080580_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a13 = 0.0577419_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b13 = 3.752150_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a14 = 0.0388557_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b14 = 4.481620_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a15 = 0.1147140_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b15 = 2.045960_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a16 = 0.5719720_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b16 = 0.526925_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_a17 = 0.0222331_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g17_b17 = 6.674390_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_rc = 0.10_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a1 = 0.0326473_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b1 = 5.962800_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a2 = 0.0181199_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b2 = 6.674950_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a3 = 0.8582970_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b3 = 0.396103_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a4 = 0.0880221_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b4 = 2.468750_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a5 = 0.1812460_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b5 = 1.332910_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a6 = 0.2314380_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b6 = 1.072960_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a7 = 0.0449632_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b7 = 3.435210_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a8 = 1.3583000_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b8 = 0.210847_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a9 = 0.1132310_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b9 = 2.024200_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a10 = 0.0251085_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b10 = 4.226690_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a11 = 0.4047630_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b11 = 0.677704_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a12 = 0.3010870_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b12 = 0.857535_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a13 = 1.3019600_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b13 = 0.287909_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a14 = 0.1432190_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b14 = 1.646940_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a15 = 0.0634725_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b15 = 2.959960_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a16 = 0.5721690_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b16 = 0.525730_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a17 = 0.0309731_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b17 = 3.918400_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_a18 = 0.0429091_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::g18_b18 = 4.928750_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s2_rc = 1.2_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s2_a1 = 0.1167720_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s2_b1 = 3.15760_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s2_a2 = 0.0537459_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s2_b2 = 1.66713_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s3_rc = 1.05_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s3_a1 = 0.1258370_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s3_b1 = 3.54518_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s3_a2 = 0.0920562_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s3_b2 = 2.17201_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s3_a3 = 0.0354098_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s3_b3 = 1.16797_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s4_rc = 0.90_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s4_a1 = 0.1237040_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s4_b1 = 3.82356_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s4_a2 = 0.0263957_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s4_b2 = 0.84445_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s4_a3 = 0.0773548_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s4_b3 = 1.56300_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s4_a4 = 0.1243300_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s4_b4 = 2.49568_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s5_rc = 0.80_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s5_a1 = 0.0601509_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s5_b1 = 1.169940_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s5_a2 = 0.1133640_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s5_b2 = 1.853660_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s5_a3 = 0.1120710_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s5_b3 = 4.084220_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s5_a4 = 0.1334100_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s5_b4 = 2.762410_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s5_a5 = 0.0186655_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s5_b5 = 0.633305_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s6_rc = 0.70_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s6_a1 = 0.0494163_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s6_b1 = 0.889897_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s6_a2 = 0.1415590_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s6_b2 = 2.073620_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s6_a3 = 0.1311110_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s6_b3 = 2.977960_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s6_a4 = 0.1012530_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s6_b4 = 4.306440_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s6_a5 = 0.1037040_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s6_b5 = 1.405500_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s6_a6 = 0.0144409_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s6_b6 = 0.482098_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_rc = 0.65_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_a1 = 0.08156290_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_b1 = 1.104000_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_a2 = 0.00971659_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_b2 = 0.379602_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_a3 = 0.09067690_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_b3 = 4.537130_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_a4 = 0.14334400_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_b4 = 2.290480_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_a5 = 0.13012600_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_b5 = 1.619190_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_a6 = 0.11794100_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_b6 = 3.205850_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_a7 = 0.03510960_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s7_b7 = 0.700361_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_rc = 0.60_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_a1 = 0.14676300_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_b1 = 1.802170_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_a2 = 0.00686211_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_b2 = 0.302201_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_a3 = 0.08248590_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_b3 = 4.741690_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_a4 = 0.10588700_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_b4 = 3.410740_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_a5 = 0.06409090_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_b5 = 0.877859_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_a6 = 0.11461200_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_b6 = 1.283730_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_a7 = 0.13708200_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_b7 = 2.482170_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_a8 = 0.02571900_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s8_b8 = 0.557431_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_rc = 0.55_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_a1 = 0.0760147_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_b1 = 4.924130_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_a2 = 0.0050867_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_b2 = 0.242656_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_a3 = 0.1524530_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_b3 = 1.962780_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_a4 = 0.0993944_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_b4 = 1.028540_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_a5 = 0.1433380_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_b5 = 1.438020_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_a6 = 0.1267950_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_b6 = 2.655630_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_a7 = 0.0958376_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_b7 = 3.595590_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_a8 = 0.0511698_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_b8 = 0.704455_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_a9 = 0.0195500_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s9_b9 = 0.447544_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_rc = 0.5_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_a1 = 0.11585200_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_b1 = 2.814420_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_a2 = 0.01551000_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_b2 = 0.361841_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_a3 = 0.08772520_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_b3 = 3.762340_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_a4 = 0.16279600_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_b4 = 1.572690_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_a5 = 0.08664120_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_b5 = 0.830482_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_a6 = 0.13675500_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_b6 = 1.158370_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_a7 = 0.04201910_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_b7 = 0.569340_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_a8 = 0.14880800_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_b8 = 2.107180_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_a9 = 0.07080240_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_b9 = 5.087590_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_a10 = 0.00396733_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s10_b10 = 0.196230_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_rc = 0.45_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_a1 = 0.16967500_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_b1 = 1.274890_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_a2 = 0.01316070_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_b2 = 0.296680_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_a3 = 0.06640200_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_b3 = 5.239300_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_a4 = 0.10578100_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_b4 = 2.964600_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_a5 = 0.07769660_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_b5 = 0.677602_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_a6 = 0.08097080_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_b6 = 3.917730_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_a7 = 0.16973700_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_b7 = 1.696540_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_a8 = 0.13064000_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_b8 = 0.942777_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_a9 = 0.03627480_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_b9 = 0.465541_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_a10 = 0.13917200_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_b10 = 2.244230_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_a11 = 0.00336822_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s11_b11 = 0.161548_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_rc = 0.40_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_a1 = 0.09642700_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_b1 = 3.118890_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_a2 = 0.17691800_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_b2 = 1.052170_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_a3 = 0.06232170_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_b3 = 5.393160_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_a4 = 0.01269890_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_b4 = 0.252183_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_a5 = 0.07481830_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_b5 = 4.075740_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_a6 = 0.12917000_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_b6 = 0.782380_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_a7 = 0.03450160_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_b7 = 0.391473_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_a8 = 0.12664700_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_b8 = 2.387640_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_a9 = 0.07450870_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_b9 = 0.565577_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_a10 = 0.18916800_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_b10 = 1.390920_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_a11 = 0.16350600_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_b11 = 1.824470_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_a12 = 0.00339586_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s12_b12 = 0.139492_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_rc = 0.35_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_a1 = 0.0827110_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_b1 = 3.406540_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_a2 = 0.1088730_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_b2 = 2.646630_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_a3 = 0.0548105_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_b3 = 5.651890_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_a4 = 0.1851320_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_b4 = 1.572120_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_a5 = 0.0153281_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_b5 = 0.227432_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_a6 = 0.1447980_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_b6 = 0.684903_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_a7 = 0.0400841_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_b7 = 0.348420_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_a8 = 0.1976780_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_b8 = 0.915974_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_a9 = 0.0845825_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_b9 = 0.498603_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_a10 = 0.2124150_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_b10 = 1.204860_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_a11 = 0.0643854_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_b11 = 4.368000_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_a12 = 0.1438660_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_b12 = 2.044290_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_a13 = 0.0043540_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s13_b13 = 0.127923_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_rc = 0.3_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_a1 = 0.1185130_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_b1 = 2.483340_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_a2 = 0.2451880_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_b2 = 1.119610_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_a3 = 0.0585112_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_b3 = 0.327881_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_a4 = 0.2441530_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_b4 = 0.851146_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_a5 = 0.1561530_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_b5 = 1.909900_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_a6 = 0.1178640_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_b6 = 0.466300_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_a7 = 0.0710939_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_b7 = 4.176560_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_a8 = 0.0907698_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_b8 = 3.219580_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_a9 = 0.0298147_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_b9 = 5.495980_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_a10 = 0.0233818_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_b10 = 0.215814_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_a11 = 0.2037940_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_b11 = 1.464080_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_a12 = 0.1909540_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_b12 = 0.637845_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_a13 = 0.0300539_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_b13 = 5.481830_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_a14 = 0.0069580_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s14_b14 = 0.122528_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_rc = 0.25_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a1 = 0.0945048_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b1 = 2.945510_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a2 = 0.2601310_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b2 = 0.589258_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a3 = 0.1267470_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b3 = 2.288550_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a4 = 0.0389633_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b4 = 0.203996_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a5 = 0.1688290_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b5 = 1.763470_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a6 = 0.2822050_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b6 = 1.031520_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a7 = 0.3048940_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b7 = 0.784165_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a8 = 0.0262863_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b8 = 5.598990_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a9 = 0.0231427_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b9 = 5.844390_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a10 = 0.0484052_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b10 = 4.606440_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a11 = 0.0680845_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b11 = 3.734880_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a12 = 0.0918188_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b12 = 0.306903_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a13 = 0.2236530_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b13 = 1.351070_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a14 = 0.1732960_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b14 = 0.433086_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_a15 = 0.0122787_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s15_b15 = 0.116976_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_rc = 0.20_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a1 = 0.0355363_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b1 = 5.119830_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a2 = 0.0250461_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b2 = 0.111228_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a3 = 0.0555360_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b3 = 4.232680_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a4 = 0.0747956_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b4 = 3.406690_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a5 = 0.0739676_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b5 = 0.192075_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a6 = 0.1016150_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b6 = 2.694530_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a7 = 0.1600940_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b7 = 0.285880_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a8 = 0.3823200_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b8 = 0.717807_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a9 = 0.0174934_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b9 = 5.965260_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a10 = 0.1369610_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b10 = 2.100230_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a11 = 0.1835200_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b11 = 1.620280_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a12 = 0.2453470_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b12 = 1.240770_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a13 = 0.3219940_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b13 = 0.945350_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a14 = 0.0174978_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b14 = 5.965260_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a15 = 0.3677700_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b15 = 0.540682_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_a16 = 0.2742210_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s16_b16 = 0.399796_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s17_rc = 0.15_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a1 = 0.0844127_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b1 = 3.242020_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a2 = 0.5321910_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b2 = 0.495959_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a3 = 0.4682070_dp |
|
real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b3 = 0.659162_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a4 = 0.0316333_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b4 = 4.520730_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a5 = 0.1497940_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b5 = 1.957400_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a6 = 0.0181484_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b6 = 5.592050_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a7 = 0.0181805_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b7 = 5.592050_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a8 = 0.4758870_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b8 = 0.368353_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a9 = 0.0474720_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b9 = 4.043220_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a10 = 0.2678960_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b10 = 1.148850_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a11 = 0.1998770_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b11 = 1.504430_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a12 = 0.0181970_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b12 = 5.592050_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a13 = 0.3261780_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b13 = 0.265656_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a14 = 0.1720050_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b14 = 0.180302_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a15 = 0.1127310_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b15 = 2.529320_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a16 = 0.3595840_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b16 = 0.872121_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_a17 = 0.0642967_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s17_b17 = 0.105311_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_rc = 0.05_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a1 = 0.1013430_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b1 = 0.0270641_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a2 = 0.0583885_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b2 = 4.2001100_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a3 = 1.1587600_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b3 = 0.3072560_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a4 = 0.1255030_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b4 = 2.3069300_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a5 = 0.0469195_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b5 = 3.5331200_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a6 = 0.3728020_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b6 = 0.0498868_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a7 = 0.8990960_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b7 = 0.0785500_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a8 = 0.3146440_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b8 = 1.0197600_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a9 = 1.5250400_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b9 = 0.1149420_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a10 = 0.4308660_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b10 = 0.7644820_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a11 = 0.8278010_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b11 = 0.4197150_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a12 = 0.5947340_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b12 = 0.5687230_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a13 = 1.5771300_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b13 = 0.2235160_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a14 = 0.1707930_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b14 = 1.7733300_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a15 = 1.8160800_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b15 = 0.1616990_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a16 = 0.0857559_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b16 = 2.9441700_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a17 = 0.2313250_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b17 = 1.3500600_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_a18 = 0.0593302_dp |
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real(kind=dp), parameter, public | qmmm_gaussian_data::s18_b18 = 5.4023800_dp |
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