%chk=000198782.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198782

0 1
O -1.555261 2.902936 1.335841
O 1.613993 3.214159 0.106495
O -1.617131 -2.309678 0.302594
O 4.047254 2.436685 0.201893
O 2.543123 -2.708794 -0.375451
O 6.427424 1.748957 0.410313
O 7.592356 -2.843416 0.168929
C -1.095808 2.703858 -0.004390
C -0.074560 1.594596 -0.067784
C -2.294489 2.381860 -0.917057
C -0.474019 0.263145 -0.209376
C -2.804022 0.984591 -0.727871
C -1.902977 -0.043954 -0.343958
C 1.310097 1.907746 0.021762
C 0.519805 -0.755403 -0.258879
C 2.295475 0.895827 -0.005385
C -4.159580 0.716714 -0.933121
C 1.860467 -0.441368 -0.150036
C -4.676820 -0.574354 -0.738316
C -2.463713 -1.322664 -0.128030
C -6.138168 -0.845307 -0.961840
C -3.825106 -1.601482 -0.319405
C -6.941696 -0.557861 0.317128
C 3.715489 1.253302 0.111490
C 2.865436 -1.553061 -0.200270
C 4.707066 0.165524 0.119370
C 4.323073 -1.182711 -0.023754
C -8.436991 -0.826668 0.109386
C -9.238775 -0.538623 1.386713
C 6.088919 0.444470 0.275673
C 5.254142 -2.211776 -0.012660
C 6.620571 -1.887946 0.147449
C 7.060706 -0.572018 0.292720
C -10.729185 -0.803781 1.188361
H -0.650260 3.700197 -0.248547
H -2.004883 2.526327 -1.980763
H -3.094194 3.128025 -0.719080
H 0.222700 -1.805241 -0.386767
H -4.828419 1.519234 -1.238262
H -6.524229 -0.225950 -1.798114
H -6.298789 -1.895319 -1.281607
H -4.212948 -2.599218 -0.142809
H -6.783860 0.493912 0.628676
H -6.554903 -1.179307 1.148706
H -1.842281 2.058196 1.740652
H -8.823010 -0.205627 -0.721973
H -8.595276 -1.876957 -0.202620
H 2.651288 3.381680 0.188438
H -9.085062 0.513147 1.699226
H -8.856568 -1.159919 2.220414
H 4.924356 -3.245004 -0.128703
H -2.084009 -3.174595 0.442773
H 8.119162 -0.360584 0.413213
H -10.922268 -1.847525 0.915683
H -11.293192 -0.595497 2.104835
H -11.150285 -0.174790 0.395703
H 7.410604 1.880654 0.519831
H 7.226730 -3.762345 0.061059


%chk=000198782-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198782

0 1
O -1.655262 2.768048 1.442079
O 1.625794 3.235715 0.217894
O -1.613407 -2.487450 0.283304
O 4.029907 2.570608 0.291782
O 2.667560 -2.757586 -0.265780
O 6.607096 1.871807 0.377701
O 7.749276 -2.787631 0.005915
C -1.129186 2.626648 0.060244
C -0.064645 1.546030 -0.008418
C -2.253114 2.302520 -0.936100
C -0.443277 0.180967 -0.170365
C -2.795337 0.898095 -0.722690
C -1.888046 -0.142465 -0.329603
C 1.308780 1.906639 0.096642
C 0.581116 -0.812275 -0.199881
C 2.335122 0.903065 0.063975
C -4.165967 0.636796 -0.917145
C 1.936903 -0.460089 -0.085321
C -4.706600 -0.661746 -0.745142
C -2.452105 -1.441788 -0.140782
C -6.191639 -0.922760 -0.929767
C -3.826730 -1.693565 -0.351977
C -7.030375 -0.542671 0.324006
C 3.745511 1.306917 0.169636
C 2.969347 -1.527680 -0.131141
C 4.790030 0.265574 0.131564
C 4.412359 -1.110228 -0.014520
C -8.543051 -0.778532 0.119800
C -9.389581 -0.403570 1.357948
C 6.193186 0.552952 0.233060
C 5.369148 -2.141781 -0.058812
C 6.740252 -1.823069 0.042527
C 7.152259 -0.484479 0.188200
C -10.900713 -0.637881 1.143869
H -0.683539 3.610974 -0.140556
H -1.846845 2.396584 -1.965110
H -3.060825 3.048380 -0.832642
H 0.329940 -1.866499 -0.311674
H -4.826509 1.460219 -1.214398
H -6.569986 -0.340554 -1.793228
H -6.365757 -1.991326 -1.162945
H -4.216763 -2.710623 -0.204456
H -6.849151 0.522246 0.573022
H -6.672822 -1.130849 1.193180
H -2.035152 1.894194 1.722540
H -8.892627 -0.189249 -0.753941
H -8.720194 -1.844812 -0.134459
H 2.671870 3.279304 0.283075
H -9.211229 0.660956 1.612323
H -9.041628 -0.993702 2.230105
H 5.007700 -3.170495 -0.173473
H -2.131886 -3.319622 0.416714
H 8.224128 -0.269207 0.265198
H -11.109113 -1.700278 0.915406
H -11.484087 -0.364934 2.042229
H -11.279529 -0.033156 0.298330
H 7.596240 1.920356 0.439528
H 7.370653 -3.696040 -0.098974


