%chk=000202519.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202519

0 1
O -4.045001 -0.100512 0.164397
O 4.748114 0.031272 0.568037
O 1.881440 -1.787063 1.239016
O 4.203658 1.102748 -1.347491
C -3.162213 2.639580 -0.517050
C -2.444231 -2.372840 0.407430
C -2.226330 1.434971 -0.389263
C -1.872790 -0.993989 0.054236
C -2.710978 0.144327 -0.063225
C -2.416843 3.936990 -0.882681
C -3.877284 2.865025 0.832731
C -4.196809 2.355625 -1.627322
C -1.348664 -3.454889 0.464903
C -3.471749 -2.778217 -0.667423
C -3.116567 -2.286575 1.791829
C -0.850838 1.564116 -0.594073
C -0.508739 -0.801727 -0.153365
C 0.013862 0.465708 -0.463010
C 1.446087 0.667200 -0.693134
C 2.459772 0.190252 0.056119
C 2.282538 -0.646998 1.291869
C 3.843500 0.503593 -0.357846
C 2.628739 0.041055 2.575148
C 6.173923 0.176330 0.263523
C 6.592878 -0.890901 -0.724504
H -1.901570 3.852908 -1.845932
H -3.113337 4.779205 -0.967166
H -1.677409 4.210532 -0.122192
H -4.500238 2.009222 1.124546
H -4.526074 3.746244 0.800619
H -3.151232 3.020469 1.639722
H -4.829168 1.487627 -1.398811
H -3.699177 2.144541 -2.581726
H -4.860595 3.211601 -1.785919
H -1.766883 -4.418919 0.772212
H -0.871821 -3.607538 -0.508820
H -0.559004 -3.204440 1.185801
H -3.021565 -2.790586 -1.664346
H -3.878513 -3.774375 -0.471457
H -4.317470 -2.078698 -0.694041
H -3.943284 -1.564518 1.788856
H -2.403609 -1.972723 2.560258
H -3.528826 -3.253501 2.093907
H -0.422743 2.534509 -0.851197
H 0.187074 -1.649865 -0.080752
H 1.685961 1.297779 -1.568483
H -4.609828 0.724554 0.067775
H 3.708375 0.269140 2.609723
H 2.093242 0.991716 2.690937
H 2.396588 -0.588633 3.445514
H 6.612767 0.039152 1.268441
H 6.351129 1.200081 -0.111672
H 6.159215 -0.706188 -1.719040
H 6.255624 -1.887352 -0.407788
H 7.682095 -0.927123 -0.841222


%chk=000202519-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202519

0 1
O -4.222774 -0.021233 -0.013807
O 4.931134 -0.149317 0.440273
O 1.893351 -2.230194 1.033619
O 4.002867 1.763325 -0.520182
C -3.130936 2.666656 -0.766139
C -2.672837 -2.351185 0.647375
C -2.256908 1.432876 -0.397896
C -2.035267 -0.982647 0.289739
C -2.828287 0.164999 -0.039833
C -2.260383 3.910768 -1.097973
C -4.039651 3.085476 0.437134
C -3.984243 2.381001 -2.046074
C -1.593897 -3.421582 0.966189
C -3.519360 -2.881197 -0.550791
C -3.573434 -2.205155 1.913140
C -0.851678 1.511155 -0.408322
C -0.635565 -0.826066 0.267596
C -0.012291 0.413151 -0.058833
C 1.425643 0.664646 -0.104793
C 2.540237 0.030810 0.424854
C 2.520071 -1.172601 1.334725
C 3.847273 0.664659 0.075589
C 3.190605 -1.034961 2.696493
C 6.288321 0.332588 0.039067
C 6.609733 -0.093166 -1.396371
H -1.606696 3.735712 -1.971270
H -2.922807 4.760930 -1.342882
H -1.630724 4.213116 -0.241942
H -4.747295 2.307151 0.779270
H -4.639247 3.972787 0.162293
H -3.414286 3.347163 1.309294
H -4.680690 1.526160 -1.957245
H -3.320019 2.157060 -2.899746
H -4.588389 3.271046 -2.301227
H -2.100754 -4.369199 1.224953
H -0.932515 -3.620667 0.103536
H -0.957971 -3.135225 1.823086
H -2.882788 -3.023180 -1.443847
H -3.959618 -3.861277 -0.286680
H -4.336951 -2.189498 -0.806172
H -4.397006 -1.494250 1.744970
H -2.977084 -1.858471 2.777694
H -4.008308 -3.189146 2.171969
H -0.369453 2.455299 -0.677213
H 0.003907 -1.685272 0.466679
H 1.692741 1.592037 -0.637926
H -4.691218 0.810997 -0.264454
H 4.235622 -0.703166 2.593001
H 2.653347 -0.269383 3.289902
H 3.147092 -1.999707 3.225499
H 6.959398 -0.144899 0.771456
H 6.318996 1.430710 0.149018
H 5.936079 0.406730 -2.111856
H 6.510439 -1.185959 -1.513180
H 7.649670 0.189496 -1.645160


