%chk=000180827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180827

0 1
O -1.854664 -1.131842 -0.666156
O -4.109749 -1.333576 -3.031641
O -4.039102 1.833895 -1.386229
O -3.669755 0.524668 1.923411
O -5.057211 -0.273655 0.363467
C 3.263249 -0.548359 1.778621
C 4.320293 -0.018855 0.769241
C 3.942858 1.325744 0.136341
C 1.897794 -0.700349 1.108432
C 3.216589 0.398079 2.992880
C 3.699324 -1.949119 2.263644
C 5.004677 1.787024 -0.871008
C 4.628323 3.133571 -1.505284
C 0.708898 -0.288160 1.736164
C 1.812042 -1.305537 -0.155209
C -0.529468 -0.458902 1.122914
C 0.585047 -1.488310 -0.799926
C -0.574954 -1.058138 -0.148715
C 5.679563 3.598713 -2.510588
C -2.074499 -1.938328 -1.863849
C -3.594763 -2.097032 -1.926418
C -4.776266 -0.102069 -2.692228
C -3.767228 1.039808 -2.567063
C -3.343605 1.453336 -0.205103
C -4.152811 0.479330 0.629166
H 5.294583 0.073697 1.286418
H 4.482542 -0.770929 -0.026689
H 2.957442 1.244028 -0.363756
H 3.814655 2.092126 0.925075
H 2.572727 0.010062 3.788871
H 2.849624 1.392125 2.714052
H 4.214433 0.531987 3.425099
H 2.968591 -2.367454 2.964716
H 3.791327 -2.657272 1.434392
H 4.664660 -1.913448 2.777577
H 5.989197 1.870325 -0.372256
H 5.133099 1.024026 -1.662319
H 4.502412 3.899543 -0.715232
H 3.643464 3.051343 -2.005541
H 0.738082 0.171042 2.725373
H 2.721696 -1.640277 -0.657609
H -1.452598 -0.147801 1.613218
H 0.552643 -1.949085 -1.780778
H 5.801310 2.880215 -3.329020
H 6.660412 3.726791 -2.038915
H 5.402310 4.560233 -2.956925
H -1.555221 -2.904120 -1.751214
H -1.679440 -1.382996 -2.732589
H -4.075686 -1.811458 -0.968037
H -3.881421 -3.133337 -2.189250
H -5.381995 -0.213401 -1.769026
H -5.452331 0.026981 -3.558322
H -2.727842 0.669255 -2.568342
H -3.890512 1.800098 -3.362298
H -3.211814 2.415471 0.336721
H -2.347012 1.006228 -0.427340
H -4.140721 -0.102235 2.533381


%chk=000180827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180827

0 1
O -1.877639 -1.464333 -0.841575
O -3.886093 -1.249667 -3.264339
O -4.264226 2.001125 -1.368550
O -3.701919 1.005959 2.147859
O -5.244706 0.106202 0.658824
C 3.254325 -0.579175 1.760776
C 4.298213 0.016772 0.753401
C 3.941769 1.389110 0.139692
C 1.892395 -0.801676 1.060870
C 3.136400 0.356098 2.992739
C 3.793778 -1.955798 2.258216
C 4.977569 1.854778 -0.909143
C 4.648825 3.236626 -1.519129
C 0.675136 -0.251412 1.543976
C 1.813907 -1.603027 -0.107930
C -0.556436 -0.485638 0.899373
C 0.593821 -1.849725 -0.774185
C -0.602329 -1.287348 -0.264592
C 5.684785 3.695670 -2.567940
C -1.971390 -2.324244 -2.035670
C -3.434013 -2.399833 -2.477934
C -4.571108 -0.179358 -2.511585
C -3.583118 0.954222 -2.173590
C -3.833502 2.073906 0.006441
C -4.363478 0.950288 0.906537
H 5.272405 0.094082 1.280621
H 4.454081 -0.708420 -0.071597
H 2.941024 1.332958 -0.333634
H 3.871397 2.155591 0.937701
H 2.494673 -0.087490 3.776512
H 2.724062 1.346778 2.731475
H 4.138551 0.515002 3.432419
H 3.087716 -2.420967 2.970313
H 3.940232 -2.659946 1.419138
H 4.767437 -1.826441 2.768211
H 5.985567 1.891937 -0.444117
H 5.039805 1.102351 -1.723645
H 4.587193 3.987882 -0.705163
H 3.641855 3.198570 -1.982501
H 0.674408 0.374062 2.441382
H 2.725492 -2.049995 -0.521794
H -1.484841 -0.059742 1.294810
H 0.590884 -2.471806 -1.674081
H 5.744096 2.977219 -3.407496
H 6.694323 3.771379 -2.121035
H 5.426253 4.685192 -2.987969
H -1.605366 -3.341792 -1.781454
H -1.352773 -1.910265 -2.857341
H -4.082055 -2.557340 -1.591223
H -3.539101 -3.269553 -3.154069
H -5.032416 -0.570809 -1.586856
H -5.366858 0.195763 -3.177755
H -2.714297 0.542746 -1.627547
H -3.237240 1.449559 -3.097738
H -4.227125 3.027902 0.403661
H -2.728325 2.097130 0.107208
H -4.078823 0.312641 2.755318


