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minbasis.json
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57 lines (57 loc) · 1.67 KB
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{
"fese": [
"BASIS { ",
"FE",
"AOSPLINE",
"",
"",
" GAMESS { ",
"S 5",
" 1 25.88 -0.01185",
" 2 14.04 0.2645",
" 3 9.008 -0.6506",
" 4 2.068 0.6252",
" 5 0.9935 0.6201",
"P 5",
" 1 16.66 0.008178",
" 2 10.45 -0.07961",
" 3 4.183 0.2595",
" 4 2.118 0.4452",
" 5 1.064 0.4094",
"5D 4",
" 1 10.23 0.09622",
" 2 4.841 0.3104",
" 3 2.04 0.4043",
" 4 0.8406 0.399",
"S 2",
" 1 10.47 -0.2291",
" 2 1.736 0.7116",
"}",
"}",
"",
"",
"BASIS { ",
"SE",
"AOSPLINE",
"",
"",
" GAMESS { ",
"S 7",
" 1 0.5 2.293",
" 2 1 -1.977",
" 3 2 0.7979",
" 4 4 -0.5798",
" 5 8 0.3166",
" 6 16 -0.1049",
" 7 32 0.02008",
"P 7",
" 1 0.5 1.588",
" 2 1 -0.9257",
" 3 2 0.419",
" 4 4 -0.2994",
" 5 8 0.1335",
" 6 16 -0.04324",
" 7 32 0.009016",
"}",
"}"]
}