%chk=000181973.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181973

0 1
O 1.035023 0.189711 -0.951669
O -2.906413 -1.216178 0.253024
O 1.459202 -0.995838 -2.815188
O -1.047496 -2.465252 0.540306
C 1.506365 0.245483 0.429661
C 0.576220 1.875299 1.571896
C 0.318972 0.330251 1.432232
C 1.934749 1.696442 0.814389
C -0.461182 2.761405 0.875973
C 2.500045 -0.884129 0.526659
C -1.033136 -0.017855 0.969051
C 2.261761 2.631818 -0.338568
C -1.912732 2.319453 1.147988
C -2.050690 0.871676 0.850456
C 2.619443 -1.495610 -0.677112
C 3.230238 -1.330527 1.738914
C 3.688420 2.406805 -0.861185
C 1.709445 -0.845451 -1.656076
C -1.517475 -1.368483 0.591231
C -3.258248 0.154414 0.391442
C 4.457219 -2.202882 1.384005
C 3.509497 -2.616770 -0.899948
C 4.355316 -2.960411 0.087143
C 3.991636 3.300905 -2.060427
C -4.501262 0.558088 0.106575
C -5.574045 -0.375705 -0.350326
C -6.563193 0.301881 -1.309150
C -7.646545 -0.669467 -1.770003
H 0.704093 2.190472 2.621589
H 0.548937 -0.221823 2.370659
H 2.781363 1.680341 1.533045
H -0.296292 2.731602 -0.225011
H -0.321982 3.814001 1.182286
H 1.536831 2.472958 -1.168696
H 2.137705 3.682928 -0.015417
H -2.611612 2.928787 0.539531
H -2.186771 2.508994 2.208799
H 3.549358 -0.470988 2.360570
H 2.525971 -1.920719 2.371340
H 4.424640 2.596854 -0.056771
H 3.815233 1.343128 -1.148738
H 4.643670 -2.912036 2.216104
H 5.362160 -1.558087 1.326552
H 3.445011 -3.139544 -1.852640
H 5.044544 -3.797230 -0.012910
H 3.898288 4.363427 -1.811344
H 3.309242 3.097717 -2.895479
H 5.010777 3.136822 -2.428710
H -4.776228 1.608549 0.210072
H -5.124065 -1.272292 -0.835988
H -6.110883 -0.774657 0.538281
H -6.016620 0.696948 -2.188989
H -7.029924 1.178361 -0.819192
H -7.218139 -1.532072 -2.295091
H -8.346920 -0.183816 -2.458951
H -8.229921 -1.057700 -0.927393


%chk=000181973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181973

0 1
O 0.948804 0.525964 -1.038084
O -2.988215 -1.214163 0.730157
O 1.201877 -0.707911 -3.019980
O -0.990349 -2.368399 1.245979
C 1.467218 0.429313 0.350577
C 0.509478 2.107050 1.448786
C 0.293747 0.551821 1.422113
C 1.949555 1.856803 0.849896
C -0.485416 2.843225 0.517938
C 2.344761 -0.786126 0.336441
C -1.083671 0.106901 1.096474
C 2.576772 2.827982 -0.156902
C -1.965650 2.468652 0.818889
C -2.124702 0.969385 0.834051
C 2.351149 -1.354016 -0.912923
C 3.012355 -1.466800 1.502682
C 4.003486 2.416826 -0.592747
C 1.486723 -0.564433 -1.818802
C -1.566393 -1.282035 1.052520
C -3.328719 0.170362 0.594086
C 4.211448 -2.337921 1.022548
C 3.069320 -2.590120 -1.215989
C 3.939213 -3.080891 -0.283014
C 4.623676 3.412688 -1.595596
C -4.600737 0.551370 0.283863
C -5.752986 -0.382623 0.024715
C -6.321636 -0.235338 -1.417048
C -7.539357 -1.153620 -1.653177
H 0.495258 2.556358 2.457863
H 0.656134 0.079839 2.354987
H 2.655263 1.689130 1.689896
H -0.274912 2.570740 -0.530926
H -0.351173 3.936699 0.613633
H 1.933833 2.906627 -1.052575
H 2.614411 3.837000 0.305329
H -2.630424 2.927476 0.062823
H -2.277343 2.881736 1.800631
H 3.349752 -0.747600 2.272908
H 2.247531 -2.113291 1.987762
H 4.653297 2.337438 0.303704
H 3.972534 1.407554 -1.048140
H 4.487564 -3.052460 1.819336
H 5.102237 -1.689348 0.868226
H 2.900230 -3.083867 -2.178141
H 4.512960 -3.993966 -0.482585
H 4.686215 4.428545 -1.161053
H 4.012640 3.476670 -2.515073
H 5.644197 3.106828 -1.889802
H -4.785204 1.630523 0.190650
H -5.436778 -1.426289 0.197554
H -6.572332 -0.162966 0.742040
H -5.521950 -0.474046 -2.143776
H -6.608104 0.820932 -1.594869
H -7.268286 -2.215534 -1.506360
H -7.928959 -1.043582 -2.681448
H -8.360743 -0.915095 -0.951246


