%chk=000229382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229382

0 1
O -5.609888 0.696801 -0.008539
O -7.169058 -0.937217 -0.063552
C 1.802378 0.483380 0.012315
C 0.523079 -0.363848 -0.016464
C 3.058654 -0.397863 -0.008123
C -0.732687 0.518014 0.003809
C 4.338256 0.448958 0.020582
C -2.011503 -0.329824 -0.025027
C 5.594301 -0.432255 0.000380
C -3.262881 0.554929 -0.004670
C 6.875277 0.413478 0.028971
C -4.527425 -0.295203 -0.033065
C 8.128691 -0.458659 0.008678
C -6.896356 0.238165 -0.027659
H 1.815126 1.176123 -0.851240
H 1.808642 1.125937 0.913906
H 0.511787 -1.056540 0.847242
H 0.518390 -1.006559 -0.918039
H 3.047023 -1.090612 0.855404
H 3.053465 -1.040516 -0.909613
H -0.719730 1.210956 -0.859897
H -0.726362 1.160907 0.905462
H 4.344113 1.091603 0.922031
H 4.350700 1.141469 -0.843078
H -2.022041 -1.022129 0.839799
H -2.015405 -0.972033 -0.927732
H 5.590293 -1.075544 -0.900428
H 5.583769 -1.125277 0.863458
H -3.262466 1.253271 -0.866211
H -3.268796 1.203840 0.894676
H 6.888256 1.106102 -0.835260
H 6.881941 1.055929 0.931193
H -4.639993 -0.893296 -0.952792
H -4.646161 -0.944345 0.850556
H 8.166449 -1.131371 0.873014
H 9.037323 0.153297 0.029472
H 8.172919 -1.080994 -0.892314
H -7.552280 1.110829 -0.004746


%chk=000229382-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229382

0 1
O -5.768614 0.717345 -0.006149
O -7.280693 -1.071324 -0.082970
C 1.816956 0.490579 0.013385
C 0.510350 -0.334160 -0.011828
C 3.091387 -0.383157 -0.005020
C -0.763373 0.540242 0.007200
C 4.398895 0.440382 0.019120
C -2.068816 -0.286461 -0.021484
C 5.673215 -0.433646 0.000321
C -3.335658 0.600385 0.000276
C 6.981364 0.389792 0.026025
C -4.613314 -0.237230 -0.033970
C 8.248765 -0.491790 0.006088
C -7.032503 0.149850 -0.035545
H 1.832547 1.179210 -0.857368
H 1.827088 1.134022 0.918142
H 0.495688 -1.023151 0.858586
H 0.500907 -0.976998 -0.916963
H 3.076425 -1.071507 0.866003
H 3.081200 -1.027201 -0.909385
H -0.747684 1.230207 -0.862070
H -0.755068 1.180971 0.913491
H 4.409737 1.084233 0.923709
H 4.414289 1.128939 -0.851825
H -2.081717 -0.977528 0.846932
H -2.075424 -0.925383 -0.929059
H 5.664509 -1.076940 -0.904695
H 5.658977 -1.123019 0.870656
H -3.328756 1.288054 -0.867252
H -3.338303 1.230607 0.910448
H 6.994428 1.079008 -0.843129
H 6.989132 1.031535 0.930898
H -4.690452 -0.849441 -0.951682
H -4.698417 -0.910845 0.838927
H 8.273040 -1.169810 0.880320
H 9.169809 0.119708 0.026845
H 8.279974 -1.119607 -0.904675
H -7.782090 0.964035 -0.009803


