%chk=000196888.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196888

0 1
O -0.487041 -2.463118 -0.261439
O -1.678318 -0.580507 1.877562
O -4.750490 0.964659 0.986322
O 0.678325 1.901418 -1.729922
O -4.595155 3.490487 0.140449
O 2.105993 -2.939057 -0.137270
O 4.261863 -1.993210 0.988982
O 5.234932 2.614592 0.420823
C -2.484194 -0.919495 -0.448923
C -1.553080 0.070407 -1.200085
C -1.954935 -2.367395 -0.558157
C -2.790067 -0.468519 0.994093
C -3.312895 0.991955 1.068292
C -0.099369 -0.177782 -0.881396
C -1.955632 1.503061 -0.963692
C -2.749413 1.919487 0.026391
C -2.084655 -2.911642 -1.977785
C -2.501360 -3.327115 0.486645
C 0.302071 -1.411047 -0.472234
C 0.885565 0.883875 -1.099026
C -3.169080 3.362578 0.166708
C 1.764830 -1.786667 -0.187550
C 2.252153 0.667176 -0.461656
C 2.641528 -0.616327 -0.021606
C 3.087848 1.764154 -0.333115
C 3.923497 -0.750971 0.565525
C 4.359748 1.583998 0.260559
C 4.795915 0.340642 0.719632
H -3.473440 -0.901161 -0.983016
H -1.680069 -0.123809 -2.305402
H -3.547134 -1.139270 1.473959
H -3.136096 1.378368 2.105127
H -1.529828 2.205150 -1.693869
H -1.706173 -2.212988 -2.733679
H -1.498561 -3.837048 -2.092071
H -3.122974 -3.153617 -2.229415
H -2.084182 -4.336440 0.356412
H -2.207420 -3.012117 1.503940
H -3.591666 -3.406744 0.448884
H -0.887347 -0.127772 1.507264
H -2.851865 3.989751 -0.690363
H -2.781167 3.805018 1.104374
H -5.042114 0.929784 0.045828
H 2.766384 2.739530 -0.701510
H -5.005165 2.950923 0.868043
H 5.778203 0.239535 1.172275
H 5.172258 -2.028200 1.395105
H 4.880371 3.476573 0.070788


%chk=000196888-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196888

0 1
O -0.541380 -2.381681 0.115709
O -1.970123 -0.516598 2.040445
O -5.132888 0.737199 0.449404
O 0.732006 1.910223 -1.630926
O -4.801593 3.596293 0.158386
O 1.947154 -2.804425 0.902157
O 4.478049 -1.921484 1.291173
O 5.673702 2.380170 -0.513412
C -2.505867 -0.878689 -0.406813
C -1.525308 0.201100 -0.965182
C -1.916302 -2.314599 -0.532281
C -3.019984 -0.517038 1.010475
C -3.745306 0.845735 1.010160
C -0.065418 -0.100794 -0.592358
C -1.956843 1.616429 -0.576554
C -2.963282 1.926131 0.287019
C -1.710830 -2.717703 -2.008897
C -2.705232 -3.382744 0.235387
C 0.307337 -1.327898 -0.060336
C 0.983752 0.862874 -0.936626
C -3.401841 3.354084 0.561641
C 1.722825 -1.667396 0.396709
C 2.393872 0.598173 -0.474727
C 2.744716 -0.613328 0.197900
C 3.341273 1.606159 -0.728462
C 4.105775 -0.761058 0.624490
C 4.676556 1.426748 -0.300230
C 5.059017 0.253567 0.376893
H -3.405349 -0.873248 -1.058876
H -1.575655 0.185051 -2.075523
H -3.737719 -1.275026 1.360824
H -3.930801 1.121776 2.063492
H -1.402258 2.414185 -1.082426
H -1.092710 -1.987290 -2.558362
H -1.208529 -3.698173 -2.058810
H -2.688331 -2.799910 -2.517796
H -2.274474 -4.378388 0.037196
H -2.650976 -3.200977 1.320123
H -3.763832 -3.388123 -0.081430
H -1.263211 0.132591 1.786630
H -2.800138 4.072342 -0.019213
H -3.281538 3.584104 1.644001
H -5.066226 0.718137 -0.541441
H 3.006680 2.506190 -1.257233
H -5.347117 2.818118 0.462170
H 6.100644 0.146234 0.700038
H 5.439729 -1.893328 1.533188
H 5.318573 3.167385 -0.996892


