%chk=000190168.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190168

0 1
O 0.253227 -0.990560 0.486978
O -0.057404 -3.229305 0.411255
O 2.507741 -0.984564 0.001746
O 0.663249 -0.201433 3.027264
O 2.022963 2.290735 2.417965
O 2.216589 2.668892 -0.543017
O 3.018005 0.088745 -3.003214
O 4.728184 0.205660 -1.550903
C -2.866338 -1.043790 0.670802
C -2.233005 -0.266789 -0.483442
C -1.849553 -1.737431 -0.274753
C -4.299338 -1.505361 0.574362
C -2.429233 -0.717139 2.076297
C -2.992559 0.116373 -1.693287
C -0.519865 -2.135853 0.217761
C -3.837546 1.158398 -1.754633
C 1.561500 -1.146608 1.053801
C 1.724569 -0.011760 2.089713
C 1.595497 1.367502 1.408962
C 2.519371 1.477491 0.173293
C 2.377951 0.243477 -0.747765
C -4.553333 1.505948 -3.023863
C -4.130194 2.055635 -0.593415
C 3.541226 0.169822 -1.736323
H -1.464239 0.478295 -0.217249
H -2.246653 -2.484579 -0.981466
H -4.980580 -0.780204 1.037639
H -4.629860 -1.632648 -0.465220
H -4.440875 -2.466605 1.085605
H -1.357242 -0.448552 2.144320
H -2.997390 0.125936 2.484917
H -2.574818 -1.571171 2.750890
H -2.802072 -0.507523 -2.566755
H 1.750813 -2.179567 1.423501
H 2.703384 -0.099353 2.620329
H 0.533251 1.585831 1.154181
H 3.584430 1.640908 0.485184
H 1.393104 0.223414 -1.278560
H -5.629921 1.302210 -2.935538
H -4.444006 2.571343 -3.268132
H -4.188763 0.938164 -3.889680
H -3.513348 2.963841 -0.638617
H -5.179588 2.377139 -0.575707
H -3.926025 1.570384 0.371378
H 0.722475 0.498214 3.725459
H 2.139282 3.189624 2.028653
H 1.323221 2.631933 -0.952377
H 3.720113 0.034283 -3.709237


%chk=000190168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190168

0 1
O 0.036535 -0.983198 0.591471
O -0.076430 -3.260750 0.040407
O 2.282301 -0.805516 -0.243212
O 0.942862 -0.485998 3.212904
O 1.947560 2.140348 2.735309
O 1.920765 2.968118 -0.039931
O 2.967522 2.062057 -2.389908
O 3.552435 -0.180152 -2.603337
C -3.095335 -1.359707 0.969847
C -2.668138 -0.447186 -0.193896
C -2.086274 -1.895649 -0.106111
C -4.476345 -2.014886 0.951326
C -2.600405 -1.021593 2.374698
C -3.557269 -0.066973 -1.322447
C -0.656125 -2.161562 0.163177
C -3.511203 1.095062 -2.041022
C 1.459483 -1.125358 0.920172
C 1.776554 -0.150986 2.065977
C 1.543087 1.294638 1.607860
C 2.353564 1.625683 0.346079
C 2.049719 0.556033 -0.751605
C -4.498733 1.347035 -3.168831
C -2.515404 2.218882 -1.811163
C 2.933995 0.696053 -1.986959
H -1.938576 0.310873 0.106616
H -2.511282 -2.645157 -0.781553
H -5.235951 -1.314006 1.346382
H -4.793718 -2.321041 -0.060337
H -4.479561 -2.916851 1.590749
H -1.575687 -0.615979 2.381951
H -3.276410 -0.276335 2.835884
H -2.605543 -1.923362 3.016222
H -4.325272 -0.803102 -1.602018
H 1.694287 -2.175010 1.153570
H 2.852590 -0.270264 2.315899
H 0.468054 1.445536 1.379771
H 3.438435 1.605955 0.584818
H 0.990338 0.677908 -1.064355
H -5.097048 2.260547 -2.977711
H -3.972249 1.510552 -4.130607
H -5.197236 0.502624 -3.300840
H -1.928942 2.410197 -2.732064
H -3.042567 3.164305 -1.573725
H -1.803470 2.018200 -0.994171
H 1.079856 0.229468 3.887354
H 1.828824 3.086204 2.464160
H 2.338077 3.182909 -0.918154
H 3.524725 2.150837 -3.209542


