%chk=000179937.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179937

0 1
S 0.334367 2.328638 1.166209
P 0.387554 0.868920 -0.288425
O -0.447007 -0.372862 0.437099
O 1.921104 0.324098 0.035956
O 0.054087 1.243669 -1.676317
O -2.551366 -0.894301 2.388758
O 2.714147 -2.303724 1.130708
C 0.459675 3.948886 0.207604
C -0.760472 4.116259 -0.663546
C 0.573645 4.974999 1.314679
C -1.760484 -0.606950 0.020319
C 2.372385 -0.719154 -0.785666
C -2.716822 -0.869910 1.028144
C 2.761490 -1.937409 -0.187824
C -2.114364 -0.700603 -1.333205
C 2.548435 -0.513586 -2.162790
C -4.038698 -1.195258 0.657196
C 3.307214 -2.958319 -0.997738
C -3.425900 -1.022269 -1.681469
C 3.087485 -1.531048 -2.947182
C -4.383947 -1.266029 -0.688512
C 3.462553 -2.750215 -2.363288
C -1.277358 -0.500674 2.952786
C 2.153047 -1.382762 2.098554
H 1.394011 3.912207 -0.400996
H -0.802241 5.126864 -1.095139
H -0.771006 3.418135 -1.521503
H -1.703297 3.968206 -0.119663
H 0.689668 5.985946 0.895404
H 1.443393 4.802317 1.964902
H -0.315938 5.006550 1.960392
H -1.377212 -0.513852 -2.121909
H 2.257021 0.436069 -2.620323
H -4.766977 -1.390871 1.443370
H 3.598024 -3.896612 -0.526941
H -3.702354 -1.086805 -2.732348
H 3.218438 -1.377592 -4.016473
H -5.406544 -1.516148 -0.970652
H 3.881254 -3.541567 -2.985256
H -1.410353 -0.769699 4.007541
H -0.451115 -1.069680 2.495365
H -1.142078 0.577626 2.829701
H 1.058921 -1.341769 1.971507
H 2.426604 -1.864255 3.044805
H 2.611112 -0.391165 2.006864


%chk=000179937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179937

0 1
S 1.084835 2.603679 1.184850
P 0.817653 1.020662 -0.414456
O -0.245188 -0.257450 0.211495
O 2.331694 0.190770 -0.143214
O 0.458609 1.537724 -1.876640
O -2.513502 0.105264 2.090988
O 2.893610 -2.439363 1.212203
C -0.065574 3.942479 0.372406
C -1.541532 3.532979 0.460321
C 0.257296 5.252436 1.112190
C -1.598815 -0.383318 -0.210085
C 2.641811 -1.007675 -0.867919
C -2.651108 -0.229157 0.739988
C 2.920753 -2.214413 -0.163238
C -1.887825 -0.700968 -1.557477
C 2.731637 -0.953186 -2.278570
C -3.989435 -0.379970 0.293875
C 3.287283 -3.356736 -0.925833
C -3.222472 -0.848518 -1.983667
C 3.088294 -2.098921 -3.015873
C -4.275613 -0.678806 -1.051961
C 3.366298 -3.306040 -2.328846
C -1.308984 -0.291998 2.846439
C 2.601848 -1.364588 2.177542
H 0.268789 3.989137 -0.678223
H -2.169743 4.351533 0.058722
H -1.756517 2.629668 -0.136592
H -1.845868 3.341624 1.504187
H -0.334976 6.071000 0.662132
H 1.325650 5.517063 1.033178
H -0.014008 5.188548 2.181555
H -1.056345 -0.811606 -2.260432
H 2.519079 -0.003513 -2.780766
H -4.784492 -0.258313 1.035999
H 3.500828 -4.277303 -0.373968
H -3.437374 -1.088498 -3.029564
H 3.154438 -2.048310 -4.107021
H -5.317596 -0.788178 -1.370835
H 3.647554 -4.206448 -2.885074
H -1.623297 -0.255768 3.901562
H -0.991430 -1.314891 2.576507
H -0.480813 0.414708 2.669643
H 1.565865 -1.004297 2.064790
H 2.736025 -1.845279 3.159102
H 3.302759 -0.521460 2.061277


