STO-3G
auto0
1313 1.000000
0 STO-3G calc of ch3cl
17 0.000000 0.000000 0.658136
6 0.000000 0.000000 -1.121864
1 0.000000 1.027479 -1.485713
1 0.889823 -0.513740 -1.485713
1 -0.889823 -0.513740 -1.485713
99
0.994504 0.015741 0.000000 0.000000 -0.000111 -0.001791 0.000000 0.000000
0.000224 -0.000051 0.000352 0.000000 0.000000 0.000341 0.000004 0.000004
0.000004 0.000144 -0.000481 0.000000 0.000000 -0.000449 -0.004254 0.000000
0.000000 0.004293 0.992138 0.036307 0.000000 0.000000 -0.000508 -0.006803
-0.006803 -0.006803 -0.377076 1.053588 0.000000 0.000000 -0.009964 0.044213
0.000000 0.000000 -0.005366 0.001720 -0.007254 0.000000 0.000000 -0.006635
-0.000181 -0.000181 -0.000181 -0.004435 0.012615 0.000000 0.000000 0.988539
-0.005502 0.000000 0.000000 0.046578 -0.001380 0.010624 0.000000 0.000000
0.008868 -0.000090 -0.000090 -0.000090 0.000000 0.000000 0.985059 -0.100095
0.000000 0.000000 0.039170 -0.003980 0.000000 0.000000 0.000000 -0.003030
0.000308 0.000000 -0.000008 0.000071 -0.000063 0.000000 0.000000 0.100095
0.985059 0.000000 0.000000 0.003980 0.039170 0.000000 0.000000 0.000000
-0.000308 -0.003030 0.000000 0.000078 -0.000032 -0.000046 0.065719 -0.218718
0.000000 0.000000 0.044992 0.715121 0.000000 0.000000 -0.131112 -0.145018
0.401114 0.000000 0.000000 0.067165 0.087395 0.087395 0.087395 0.055011
-0.179036 0.000000 0.000000 -0.022002 0.668454 0.000000 0.000000 0.060416
0.168613 -0.522076 0.000000 0.000000 0.148172 -0.182248 -0.182248 -0.182248
0.000000 0.000000 -0.070587 -0.013776 0.000000 0.000000 0.246548 0.048117
0.000000 0.000000 0.000000 0.558179 0.108937 0.000000 0.084052 0.330948
-0.415000 0.000000 0.000000 0.013776 -0.070587 0.000000 0.000000 -0.048117
0.246548 0.000000 0.000000 0.000000 -0.108937 0.558179 0.000000 0.430673
-0.288128 -0.142545 0.020958 -0.064487 0.000000 0.000000 -0.202181 0.312296
0.000000 0.000000 0.701871 0.016703 -0.091473 0.000000 0.000000 -0.483789
0.121609 0.121609 0.121609 0.000000 0.000000 -0.266026 0.029193 0.000000
0.000000 0.992080 -0.108870 0.000000 0.000000 0.000000 -0.158210 0.017362
0.000000 0.022068 -0.185185 0.163117 0.000000 0.000000 -0.029193 -0.266026
0.000000 0.000000 0.108870 0.992080 0.000000 0.000000 0.000000 -0.017362
-0.158210 0.000000 -0.201092 0.081435 0.119657 -0.023560 0.066207 0.000000
0.000000 -0.214145 -0.441492 0.000000 0.000000 0.904547 -0.122229 0.644397
0.000000 0.000000 0.893690 -0.065629 -0.065629 -0.065629 0.000000 0.000000
-0.010624 0.023129 0.000000 0.000000 0.045853 -0.099821 0.000000 0.000000
0.000000 -0.458781 0.998768 0.000000 -0.909748 0.816777 0.092971 0.000000
0.000000 0.023129 0.010624 0.000000 0.000000 -0.099821 -0.045853 0.000000
0.000000 0.000000 0.998768 0.458781 0.000000 -0.417889 -0.578920 0.996810
0.000049 0.000593 0.000000 0.000000 -0.006685 0.007891 0.000000 0.000000
0.027581 -0.213055 1.374284 0.000000 0.000000 -0.566177 -0.752990 -0.752990
-0.752990
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