%chk=000197982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197982

0 1
S -3.457890 -0.059616 -0.631183
S -2.781590 -2.596779 1.535103
P -2.077677 -1.299476 0.326744
O -1.300421 -1.793484 -1.039567
O -0.916934 -0.292805 0.950569
O 3.580542 0.912205 0.512930
O -2.003454 2.692622 -0.708685
O 2.362091 0.026228 -1.176432
N -0.218451 1.607222 -1.641029
C 0.754661 2.524416 -1.004108
C 1.470724 1.860163 0.180888
C -2.477209 0.695891 -1.961907
C -1.578770 1.742768 -1.345058
C 2.459843 0.829357 -0.274182
C -0.475543 -2.997434 -0.987131
C -1.095251 0.192635 2.315725
C 0.862338 -2.716821 -0.339131
C -2.062887 1.355290 2.355156
C 4.667567 -0.041585 0.282460
C 4.354039 -1.344359 0.986952
H 1.487038 2.845332 -1.779723
H 0.223006 3.443542 -0.650010
H 1.960659 2.625817 0.819877
H 0.719456 1.356353 0.844166
H 0.171029 0.707838 -1.944816
H -1.950710 -0.066138 -2.574664
H -3.206459 1.186174 -2.647080
H -1.029285 -3.825488 -0.505209
H -0.378073 -3.204155 -2.074388
H -1.377217 -0.632702 2.997827
H -0.054328 0.507407 2.543514
H 1.296461 -1.773301 -0.719970
H 0.801801 -2.626686 0.752261
H 1.582582 -3.513620 -0.561415
H -1.986155 1.990474 1.451523
H -3.113369 1.043163 2.424320
H -1.869962 2.007307 3.215583
H 5.520300 0.502324 0.728816
H 4.805183 -0.165992 -0.806543
H 4.082193 -1.178817 2.037890
H 3.510619 -1.865097 0.511332
H 5.213604 -2.025570 0.969595


%chk=000197982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197982

0 1
S -3.600704 -0.048763 -0.829246
S -2.818620 -2.839545 1.434829
P -2.052366 -1.290046 0.300846
O -0.981808 -1.654187 -1.017950
O -1.008560 -0.171062 1.142721
O 3.712282 0.819526 0.406958
O -2.055300 2.929204 -0.777969
O 2.351340 0.180084 -1.381270
N -0.217731 1.701091 -1.532856
C 0.773725 2.617680 -0.954669
C 1.614198 1.958006 0.164254
C -2.461151 0.865818 -2.047004
C -1.572013 1.920829 -1.381143
C 2.561493 0.900758 -0.370968
C -0.288592 -2.979339 -1.049631
C -1.411687 0.286387 2.512731
C 1.000371 -2.955589 -0.229521
C -2.523657 1.337569 2.478413
C 4.728952 -0.222176 0.048154
C 4.597300 -1.422478 0.988148
H 1.439581 2.997179 -1.752860
H 0.208831 3.469333 -0.539542
H 2.191741 2.714920 0.721182
H 0.927422 1.460068 0.875977
H 0.132622 0.809745 -1.898975
H -1.899157 0.106380 -2.609488
H -3.182052 1.375373 -2.709360
H -0.991442 -3.758872 -0.697122
H -0.088512 -3.124132 -2.124019
H -1.693142 -0.600966 3.112419
H -0.469173 0.702994 2.907801
H 1.651781 -2.135806 -0.575412
H 0.786268 -2.821335 0.845471
H 1.536218 -3.915436 -0.358252
H -2.298078 2.129558 1.743638
H -3.498268 0.895705 2.210592
H -2.619566 1.798529 3.479603
H 5.694590 0.293984 0.173351
H 4.581921 -0.506344 -1.008296
H 4.679008 -1.107691 2.042517
H 3.630471 -1.934321 0.846674
H 5.405567 -2.148031 0.780271


