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paramecium86

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# opt freq b3lyp/6-311++g(d,p) geom=connectivity

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paramecium86

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%chk=C:\Users\pc\Desktop\1p.chk
# opt freq b3lyp/6-311++g(d,p) geom=connectivity

Title Card Required

0 2
P                 -0.89635854    0.82633052    0.00000000
P                  1.61972239   -0.07675660    0.37688024
P                  0.42920381    1.27202304   -1.61690804
P                  0.27778259    2.06297467    1.28928385
?d                -1.07489067    3.68804179   -0.44522542
O                  0.26198394    3.22931931    2.23997497
O                  0.53620752    1.79690730   -3.02313339
O                  0.24008354    2.59063733   -0.42096322
O                  0.03567564   -0.57927275    0.43111192
O                 -0.95731591    0.22085881   -1.49322493
O                  1.72268956    1.17816137    1.50697719
O                  1.86458793    0.43695258   -1.21644465
O                  2.61589015   -1.15080816    0.72109832
O                 -2.37656762    1.05815644   -0.14021723
O                 -1.11746246    1.05738727    1.58042979

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2 9 1.0 11 1.0 12 1.0 13 2.0
3 7 2.0 8 1.0 10 1.0 12 1.0
4 6 2.0 8 1.0 11 1.0 15 1.0
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