108 lines
2.5 KiB
Plaintext
108 lines
2.5 KiB
Plaintext
$basis
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*
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c sto-3g hondo
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# c (6s3p) / [2s1p] {33/3}
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*
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3 s
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71.616837000 0.15432897000
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13.045096000 0.53532814000
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3.5305122000 0.44463454000
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3 s
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2.9412494000 -0.99967229000E-01
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0.68348310000 0.39951283000
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0.22228992000 0.70011547000
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3 p
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2.9412494000 0.15591628000
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0.68348310000 0.60768372000
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0.22228992000 0.39195739000
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*
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h sto-3g hondo
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# h (3s) / [1s] {3}
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*
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3 s
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3.4252510000 0.15432897000
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0.62391374000 0.53532814000
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0.16885541000 0.44463454000
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*
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n sto-3g hondo
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# n (6s3p) / [2s1p] {33/3}
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*
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3 s
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99.106169000 0.15432897000
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18.052312000 0.53532814000
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4.8856602000 0.44463454000
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3 s
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3.7804559000 -0.99967229000E-01
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0.87849664000 0.39951283000
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0.28571437000 0.70011547000
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3 p
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3.7804559000 0.15591628000
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0.87849664000 0.60768372000
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0.28571437000 0.39195739000
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*
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o sto-3g hondo
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# o (6s3p) / [2s1p] {33/3}
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*
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3 s
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130.70932000 0.15432897000
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23.808866000 0.53532814000
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6.4436083000 0.44463454000
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3 s
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5.0331513000 -0.99967229000E-01
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1.1695961000 0.39951283000
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0.38038896000 0.70011547000
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3 p
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5.0331513000 0.15591628000
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1.1695961000 0.60768372000
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0.38038896000 0.39195739000
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*
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cl sto-3g hondo
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# cl (9s6p) / [3s2p] {333/33}
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*
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3 s
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601.34561000 0.15432897000
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109.53585000 0.53532814000
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29.644677000 0.44463454000
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3 s
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38.960419000 -0.99967229000E-01
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9.0535635000 0.39951283000
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2.9444998000 0.70011547000
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3 p
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38.960419000 0.15591628000
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9.0535635000 0.60768372000
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2.9444998000 0.39195739000
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3 s
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2.1293865000 -0.21962037000
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0.59409343000 0.22559543000
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0.23252414000 0.90039843000
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3 p
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2.1293865000 0.10587604000E-01
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0.59409343000 0.59516701000
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0.23252414000 0.46200101000
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*
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s sto-3g hondo
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# s (9s6p) / [3s2p] {333/33}
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*
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3 s
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533.12574000 0.15432897000
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97.109518000 0.53532814000
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26.281625000 0.44463454000
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3 s
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33.329752000 -0.99967229000E-01
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7.7451175000 0.39951283000
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2.5189526000 0.70011547000
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3 p
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33.329752000 0.15591628000
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7.7451175000 0.60768372000
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2.5189526000 0.39195739000
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3 s
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2.0291943000 -0.21962037000
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0.56614005000 0.22559543000
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0.22158338000 0.90039843000
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3 p
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2.0291943000 0.10587604000E-01
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0.56614005000 0.59516701000
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0.22158338000 0.46200101000
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*
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$end
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