%chk=000198735.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198735

0 1
S -2.811257 1.468383 0.642961
O -1.927428 2.186780 -0.533018
O -3.349290 2.318002 1.924219
O 5.273984 -0.343645 1.910377
O 6.378423 1.402899 0.843573
N -1.959723 0.002678 1.422396
C 1.410296 -1.184372 1.063043
C -0.674017 -2.103034 1.249877
C 0.480302 -0.067219 0.474926
C -0.961396 -0.715872 0.582863
C 0.512430 -1.757440 2.198250
C 1.475562 -2.399710 0.093122
C 0.026048 -3.003795 0.185284
C 0.827007 0.463836 -0.939762
C 2.214974 1.061801 -1.013033
C -4.250655 0.610460 -0.229083
C 3.178459 0.724392 -1.910267
C 4.570788 1.320095 -1.956394
C -5.232283 -0.011682 0.559776
C -4.295786 0.681935 -1.629806
C 5.691958 0.254939 -1.784874
C -6.322508 -0.612919 -0.109757
C -5.395649 0.074227 -2.280635
C -6.400995 -0.570547 -1.523151
C 5.578115 -0.551494 -0.474003
C 5.798608 0.291436 0.766875
H 2.400345 -0.809166 1.369673
H -1.573944 -2.546203 1.703097
H 0.518586 0.798345 1.171362
H -1.420016 -0.853521 -0.414192
H 0.259458 -1.015701 2.979058
H 0.945161 -2.648052 2.687532
H 1.755909 -2.109732 -0.933633
H 2.231471 -3.124435 0.446908
H 0.047361 -4.053504 0.529644
H -0.506752 -2.985495 -0.783174
H 0.069195 1.234200 -1.189953
H 0.725638 -0.344320 -1.691119
H -1.560889 0.392833 2.299060
H 2.440635 1.843306 -0.267810
H 2.955353 -0.051483 -2.662446
H 4.733217 1.826964 -2.929713
H 4.678483 2.094199 -1.173776
H -5.150265 -0.023196 1.650667
H -3.505495 1.204867 -2.178495
H 6.674880 0.760305 -1.823749
H 5.654532 -0.458123 -2.631833
H -7.107549 -1.108836 0.470439
H -5.466288 0.110402 -3.372697
H -7.250807 -1.036427 -2.033779
H 4.590989 -1.039796 -0.389986
H 6.333201 -1.363230 -0.451229
H 5.469120 0.218266 2.709585


%chk=000198735-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198735

0 1
S -2.798921 1.427392 0.622966
O -1.921346 2.123296 -0.570542
O -3.295882 2.280080 1.919488
O 5.181250 -0.271303 1.917778
O 6.402646 1.412208 0.890601
N -1.957613 -0.057906 1.377071
C 1.427630 -1.203442 1.040004
C -0.648384 -2.144924 1.206159
C 0.490665 -0.095649 0.444843
C -0.945438 -0.759065 0.539885
C 0.525715 -1.788151 2.165951
C 1.515139 -2.416680 0.069345
C 0.071022 -3.035312 0.145603
C 0.845902 0.440724 -0.965730
C 2.228230 1.053281 -1.022634
C -4.283565 0.615368 -0.215511
C 3.206370 0.727838 -1.908247
C 4.592518 1.339075 -1.935542
C -5.320823 0.131135 0.598094
C -4.300749 0.578190 -1.618129
C 5.723525 0.286196 -1.755235
C -6.440518 -0.443295 -0.045785
C -5.430146 -0.001946 -2.243040
C -6.491131 -0.512209 -1.459320
C 5.606124 -0.523325 -0.445520
C 5.789081 0.326776 0.796510
H 2.410697 -0.817841 1.355759
H -1.547249 -2.599637 1.649940
H 0.513179 0.769640 1.142166
H -1.395812 -0.898530 -0.460504
H 0.258067 -1.050491 2.945733
H 0.963393 -2.674928 2.657853
H 1.803323 -2.122810 -0.954136
H 2.274511 -3.134308 0.430185
H 0.099101 -4.085874 0.486867
H -0.452683 -3.019111 -0.827848
H 0.083126 1.204066 -1.221983
H 0.760615 -0.366829 -1.719658
H -1.573642 0.311203 2.269475
H 2.436559 1.835532 -0.273099
H 3.001964 -0.049499 -2.664152
H 4.760973 1.853252 -2.903997
H 4.681873 2.110717 -1.147936
H -5.260460 0.209958 1.687822
H -3.471142 1.006746 -2.190023
H 6.701422 0.801818 -1.783679
H 5.701690 -0.426492 -2.602989
H -7.269927 -0.831804 0.554190
H -5.480645 -0.047653 -3.335870
H -7.363486 -0.957280 -1.950071
H 4.630894 -1.036028 -0.376990
H 6.383603 -1.313474 -0.412469
H 5.356251 0.293906 2.719549


