%chk=000229397.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229397

0 1
O 2.894080 -0.300122 -0.299381
O 3.450633 0.651406 1.702012
C -2.766762 -0.977303 0.089118
C -3.562104 1.589396 -0.159894
C -3.485148 0.273773 0.664721
C -1.255130 -0.763955 -0.016304
C -2.972288 -2.142567 1.093198
C -3.398203 -1.400803 -1.247054
C -4.004429 2.708415 0.816878
C -4.618887 1.490508 -1.278344
C -2.210726 1.984809 -0.772337
C -0.556227 -0.243545 1.087722
C -0.527321 -1.114084 -1.165701
C 0.827356 -0.059641 1.059407
C 0.855739 -0.941479 -1.225021
C 1.512044 -0.413114 -0.104305
C 5.164033 0.149233 -0.018926
C 3.784438 0.231642 0.627530
C 6.047818 -0.742354 0.851399
C 5.714593 1.567714 -0.154090
H -4.523578 -0.021776 0.915791
H -3.011093 0.513086 1.639085
H -2.599334 -1.894514 2.091334
H -2.439353 -3.041187 0.763958
H -4.029410 -2.405521 1.191883
H -2.959544 -2.326323 -1.632957
H -4.473482 -1.578281 -1.130241
H -3.283802 -0.619292 -2.011147
H -3.270582 2.859965 1.613893
H -4.965223 2.478909 1.285611
H -4.116051 3.665005 0.297039
H -5.582645 1.144271 -0.895687
H -4.783367 2.462089 -1.754706
H -4.303183 0.794285 -2.065260
H -2.265836 2.959079 -1.267456
H -1.425681 2.047927 -0.010736
H -1.874854 1.258347 -1.519748
H -1.103119 0.031315 1.991761
H -1.034042 -1.530219 -2.036466
H 1.354294 0.349228 1.924220
H 1.423867 -1.208039 -2.112621
H 5.062370 -0.309412 -1.038885
H 7.064605 -0.803760 0.444697
H 5.657210 -1.765746 0.913864
H 6.130184 -0.357317 1.877589
H 6.724591 1.557561 -0.581668
H 5.087779 2.186908 -0.807924
H 5.777971 2.074784 0.819050


%chk=000229397-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229397

0 1
O 3.013097 -0.482245 -0.250725
O 3.630171 0.197618 1.919945
C -2.790276 -0.967351 -0.004841
C -3.645866 1.662563 -0.131754
C -3.508556 0.288128 0.617229
C -1.251400 -0.795383 -0.063085
C -3.082000 -2.161682 0.965376
C -3.386289 -1.349956 -1.383630
C -4.034935 2.710045 0.954011
C -4.790173 1.642765 -1.185218
C -2.328743 2.129184 -0.804393
C -0.523928 -0.427077 1.100020
C -0.497617 -1.050584 -1.238512
C 0.881785 -0.300494 1.114061
C 0.907066 -0.933630 -1.254633
C 1.592873 -0.556614 -0.081839
C 5.337140 -0.064741 0.139141
C 3.935644 -0.097912 0.745398
C 6.405842 -0.304495 1.225875
C 5.538257 1.304771 -0.573484
H -4.538232 -0.035698 0.880745
H -3.008574 0.496827 1.584816
H -2.754857 -1.935324 1.996391
H -2.550709 -3.072476 0.633904
H -4.166352 -2.380439 0.991456
H -3.020760 -2.341567 -1.711083
H -4.487259 -1.407812 -1.313423
H -3.136704 -0.618557 -2.171526
H -3.221008 2.838313 1.692547
H -4.946186 2.399274 1.500775
H -4.235353 3.695877 0.493499
H -5.747412 1.333489 -0.722598
H -4.932542 2.655882 -1.608104
H -4.582475 0.959107 -2.024659
H -2.459990 3.146541 -1.221043
H -1.494697 2.160062 -0.080249
H -2.023895 1.463780 -1.631013
H -1.058235 -0.229775 2.036316
H -1.002065 -1.343850 -2.163552
H 1.409769 -0.013615 2.023698
H 1.482258 -1.129933 -2.164795
H 5.384367 -0.860024 -0.627427
H 7.415835 -0.231927 0.784341
H 6.298664 -1.302831 1.685813
H 6.316419 0.447198 2.029005
H 6.533396 1.331839 -1.052223
H 4.772602 1.468881 -1.351558
H 5.484103 2.133149 0.155905


