%chk=000191188.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191188

0 1
O 3.041411 -0.925588 -0.353389
O -0.064294 0.698379 -1.388192
O 4.296011 2.061325 1.412825
O -1.229230 2.530563 -1.021190
O -3.524881 2.465608 0.319790
O -5.369119 -1.705224 1.301726
C 2.172825 -0.009338 0.359992
C 2.708850 0.235975 1.774643
C 0.821506 -0.736435 0.354669
C 4.180068 0.678329 1.766668
C 5.044816 -0.194394 0.846412
C 4.396724 -0.429228 -0.524476
C 0.195262 -0.698856 -1.041702
C -1.080713 -1.539642 -1.150123
C 5.078492 -1.529143 -1.325932
C -2.236683 -0.911268 -0.431306
C -2.272314 0.501207 -0.356234
C -1.202082 1.312160 -0.916359
C -3.257368 -1.679230 0.112817
C -3.393654 1.130828 0.251878
C -4.339196 -1.013126 0.738790
C -4.432945 0.374962 0.820038
H 2.118890 0.941251 -0.221035
H 2.615560 -0.685916 2.380833
H 2.097696 1.006450 2.285293
H 0.140708 -0.287368 1.103668
H 0.976811 -1.790783 0.666817
H 4.594156 0.686591 2.804084
H 6.038036 0.278445 0.718162
H 5.229941 -1.167146 1.342789
H 4.336733 0.520199 -1.102978
H 0.942383 -0.965829 -1.830063
H -0.883464 -2.571378 -0.791454
H -1.361018 -1.658535 -2.223844
H 6.138736 -1.312491 -1.490633
H 5.001824 -2.498538 -0.815749
H 4.598270 -1.653488 -2.305255
H 3.928947 2.242262 0.527170
H -3.235644 -2.760498 0.058856
H -5.281785 0.862765 1.296062
H -2.751358 2.974133 -0.152545
H -5.264509 -2.688587 1.213776


%chk=000191188-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191188

0 1
O 3.052093 -0.954524 -0.381090
O -0.032238 0.573444 -1.457436
O 4.224806 2.042252 1.543226
O -1.224306 2.502553 -1.208485
O -3.475257 2.569585 0.054355
O -5.489297 -1.551480 1.390819
C 2.172667 -0.108445 0.459167
C 2.763592 0.035191 1.875598
C 0.797899 -0.789684 0.442639
C 4.208320 0.590247 1.834852
C 5.079756 -0.204049 0.831848
C 4.398157 -0.352409 -0.546287
C 0.190504 -0.841540 -0.970645
C -1.112729 -1.650183 -1.083487
C 5.163750 -1.260670 -1.508879
C -2.268261 -0.945915 -0.394217
C -2.276718 0.480117 -0.430541
C -1.176895 1.238598 -1.037351
C -3.325712 -1.641317 0.208213
C -3.401035 1.198675 0.115853
C -4.411709 -0.909242 0.772161
C -4.460465 0.494901 0.727392
H 2.083540 0.893851 -0.022626
H 2.770497 -0.960202 2.362122
H 2.136440 0.712567 2.484857
H 0.116259 -0.273381 1.144073
H 0.925341 -1.829786 0.802448
H 4.657430 0.542195 2.841075
H 6.053203 0.308215 0.719413
H 5.269768 -1.216888 1.238821
H 4.267747 0.655599 -1.009227
H 0.953622 -1.217725 -1.670264
H -0.951491 -2.659319 -0.662880
H -1.356421 -1.782266 -2.156771
H 6.179145 -0.864369 -1.688985
H 5.253371 -2.276999 -1.085349
H 4.637740 -1.332179 -2.476294
H 3.787756 2.206559 0.668739
H -3.319178 -2.738197 0.237586
H -5.309820 1.036800 1.147657
H -2.654591 2.903833 -0.464501
H -5.382883 -2.535008 1.367703


