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%nproc=4
%mem=2000MB
%chk=pbe-A-D2d-Q-x2-x2-7.chk
# pbepbe/gen freq=noraman opt(readfc,tight,nolinear,gdiis)
Title Card Required
0 5
23 0 0.824487 1.249515 0.742043
23 0 -1.084143 0.968297 -0.687189
23 0 -0.824487 -1.249515 0.742043
23 0 1.084143 -0.968297 -0.687189
6 0 -2.978342 1.147589 -1.946031
6 0 -3.132225 1.959765 -0.776978
1 0 -3.868523 1.818043 0.017691
6 0 -2.135355 2.995443 -0.824354
1 0 -1.986057 3.773193 -0.071351
6 0 -1.885929 1.670508 -2.711034
1 0 -1.488103 1.246328 -3.636040
6 0 -1.370273 2.812640 -2.017234
1 0 -0.504076 3.400512 -2.329982
1 0 -3.550888 0.250165 -2.190973
6 0 2.135355 -2.995443 -0.824354
6 0 1.370273 -2.812640 -2.017234
1 0 0.504076 -3.400512 -2.329982
6 0 1.885929 -1.670508 -2.711034
1 0 1.488103 -1.246328 -3.636040
6 0 3.132225 -1.959765 -0.776978
1 0 3.868523 -1.818043 0.017691
6 0 2.978342 -1.147589 -1.946031
1 0 3.550888 -0.250165 -2.190973
1 0 1.986057 -3.773193 -0.071351
6 0 0.720200 3.209163 1.911233
6 0 1.454053 3.443212 0.706115
1 0 1.153897 4.090166 -0.121759
6 0 2.645901 2.642544 0.754833
1 0 3.399508 2.574777 -0.033282
6 0 1.454053 2.266869 2.705703
1 0 1.137725 1.854060 3.667318
6 0 2.647139 1.925758 1.993130
1 0 3.391232 1.193285 2.314582
1 0 -0.255608 3.628278 2.168903
6 0 -1.454053 -2.266869 2.705703
6 0 -2.647139 -1.925758 1.993130
1 0 -3.391232 -1.193285 2.314582
6 0 -2.645901 -2.642544 0.754833
1 0 -3.399508 -2.574777 -0.033282
6 0 -0.720200 -3.209163 1.911233
1 0 0.255608 -3.628278 2.168903
6 0 -1.454053 -3.443212 0.706115
1 0 -1.153897 -4.090166 -0.121759
1 0 -1.137725 -1.854060 3.667318
6 0 -1.385610 0.867025 1.236059
8 0 -1.898890 1.175113 2.297233
6 0 1.047313 1.080954 -1.280088
8 0 1.549463 1.642378 -2.241591
6 0 -1.047313 -1.080954 -1.280088
8 0 -1.549463 -1.642378 -2.241591
6 0 1.385610 -0.867025 1.236059
8 0 1.898890 -1.175113 2.297233 |
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