%chk=000244262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244262

0 1
O -7.584374 -1.337435 1.525414
O 6.629207 -2.087586 -0.326783
O -7.991127 -1.361030 -1.306156
O 8.428562 -0.082077 -1.480150
N -2.336828 1.020349 0.504419
N 2.581893 0.893649 0.878043
C 0.121463 0.959801 0.702985
C -1.180033 1.470080 1.340028
C 1.346335 1.525145 1.437617
C -3.643818 1.415724 1.121171
C 3.819553 1.482149 1.482312
C -4.776558 0.676859 0.451483
C 5.032992 1.046666 0.697488
C -5.703663 -0.030094 1.231766
C 5.271719 -0.319121 0.487196
C -4.915461 0.707170 -0.939466
C 5.921960 2.003035 0.184401
C -6.768772 -0.700141 0.617962
C 6.407154 -0.719705 -0.222763
C -5.974120 0.037092 -1.564460
C 7.066718 1.607164 -0.511652
C -6.903898 -0.665556 -0.797567
C 7.317101 0.245113 -0.711728
C -8.724014 -2.075742 1.018552
C 6.655024 -2.579245 -1.695609
C -8.163630 -1.361660 -2.743425
C 9.422037 -0.872539 -0.769836
H 0.155534 -0.148821 0.720648
H 0.145513 1.240337 -0.369794
H -1.187393 2.582976 1.355168
H -1.245658 1.134357 2.398001
H 1.296118 1.265780 2.519047
H 1.352612 2.635103 1.373582
H -2.308537 -0.000382 0.390924
H 2.606836 1.017571 -0.141179
H -3.771868 2.512658 0.955582
H -3.670995 1.263036 2.223386
H 3.898165 1.092588 2.526419
H 3.781055 2.591187 1.567335
H -5.618272 -0.072664 2.316599
H 4.574633 -1.071037 0.864181
H -4.187036 1.251523 -1.542321
H 5.729701 3.064302 0.331921
H -6.057978 0.074634 -2.647325
H 7.769233 2.340439 -0.905273
H -8.385789 -2.883627 0.361161
H -9.404567 -1.399398 0.490493
H -9.170296 -2.462470 1.941226
H 7.381257 -2.019756 -2.296287
H 5.649668 -2.508156 -2.119718
H 6.957594 -3.622851 -1.560911
H -9.069264 -1.970466 -2.857874
H -7.307483 -1.837327 -3.230412
H -8.327074 -0.343568 -3.108311
H 8.967065 -1.773231 -0.341640
H 9.884575 -0.255476 0.004954
H 10.134830 -1.117026 -1.564022


%chk=000244262-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244262

0 1
O -8.181182 -0.841062 1.360468
O 6.337770 -2.017707 -0.655328
O -8.137994 -1.180624 -1.469965
O 8.634725 -0.298173 -1.229826
N -2.323777 0.764961 0.782292
N 2.615144 1.289340 0.674652
C 0.145580 1.031744 0.733721
C -1.173276 1.439814 1.417185
C 1.377617 1.708140 1.364216
C -3.641993 1.118860 1.352688
C 3.860394 1.872017 1.218697
C -4.789794 0.470334 0.587210
C 5.101283 1.296807 0.545441
C -5.951165 0.036229 1.269883
C 5.168961 -0.081640 0.225413
C -4.733431 0.308404 -0.816560
C 6.209993 2.124241 0.240122
C -7.049846 -0.524493 0.585227
C 6.321753 -0.628866 -0.371107
C -5.821623 -0.253016 -1.520433
C 7.379597 1.577675 -0.333887
C -6.992363 -0.658946 -0.836550
C 7.453134 0.200425 -0.628764
C -8.763448 -2.189721 1.207570
C 6.436326 -2.344624 -2.096455
C -8.124905 -1.247993 -2.932608
C 9.354669 -1.313297 -0.425683
H 0.281363 -0.066787 0.791836
H 0.076726 1.291024 -0.341847
H -1.322133 2.534274 1.315485
H -1.098521 1.230542 2.516184
H 1.462721 1.408229 2.428632
H 1.230376 2.819521 1.357708
H -2.193628 -0.256166 0.745651
H 2.549694 1.425478 -0.344021
H -3.733018 2.224238 1.294959
H -3.735420 0.860015 2.437396
H 3.881255 1.633082 2.302928
H 3.893772 2.988496 1.148918
H -6.034689 0.126941 2.358888
H 4.309182 -0.728713 0.423929
H -3.830177 0.625167 -1.347116
H 6.165398 3.197588 0.460035
H -5.756751 -0.356895 -2.608068
H 8.250394 2.201430 -0.560506
H -8.011255 -2.964628 1.454706
H -9.141372 -2.344892 0.184051
H -9.587692 -2.225431 1.936493
H 7.341634 -1.895700 -2.544225
H 5.536107 -1.983562 -2.629576
H 6.484679 -3.443274 -2.146235
H -9.114988 -1.639046 -3.210341
H -7.336513 -1.933756 -3.300011
H -7.980930 -0.244787 -3.378328
H 8.702458 -2.176675 -0.202624
H 9.715883 -0.862823 0.518457
H 10.210896 -1.623415 -1.044174


