%chk=000194425.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194425

0 1
S -7.859609 1.742223 -0.938212
S 7.829943 -1.841218 -1.228884
O -8.954910 2.663368 -0.042090
O -8.662135 0.841615 -1.713844
O -6.973445 2.670734 -1.576964
O 5.703367 -0.538662 -0.527494
O 6.568930 2.795241 0.300046
N -3.487659 -0.147719 1.140116
N 7.533280 0.785489 -0.440537
C -4.912766 0.166861 1.413520
C -5.623744 0.679224 0.145536
C -3.094674 -1.407944 0.619694
C -1.730182 -1.631068 0.285701
C -7.100913 0.937899 0.420493
C -2.549793 0.896273 1.230188
C -0.725478 -0.564075 0.446918
C -1.244519 0.711553 0.921499
C -4.046019 -2.442779 0.455387
C -1.369301 -2.902126 -0.206669
C -3.648230 -3.680991 -0.031617
C -2.306088 -3.915829 -0.366165
C 0.592518 -0.767214 0.170779
C 1.629860 0.230931 0.304770
C 8.962358 1.196975 -0.458720
C 5.260516 0.749015 -0.091133
C 2.930233 -0.022922 0.032229
C 6.447514 1.640485 -0.012224
C 3.962582 0.981142 0.168701
C 7.070809 -0.502366 -0.723403
C 9.659958 0.837348 0.846816
H -5.422366 -0.744031 1.808535
H -4.968741 0.925737 2.227103
H -5.120451 1.605452 -0.217449
H -5.498918 -0.062053 -0.674458
H -7.226085 1.545495 1.347783
H -7.622652 -0.015038 0.663473
H -2.934360 1.859169 1.584392
H -0.535610 1.533889 1.025587
H -5.090301 -2.279635 0.712226
H -0.322160 -3.088331 -0.468626
H -4.383863 -4.476676 -0.156934
H -2.002765 -4.888307 -0.749189
H 0.926299 -1.749068 -0.180224
H 1.314826 1.225204 0.643992
H 8.989312 2.299655 -0.631062
H 9.462511 0.702281 -1.325031
H -9.650776 3.125675 -0.528354
H 3.261744 -1.010458 -0.307277
H 3.668018 1.986592 0.502202
H 9.188728 1.320160 1.712290
H 9.650502 -0.246439 1.030495
H 10.710506 1.152866 0.826691


%chk=000194425-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194425

0 1
S -8.147526 1.544344 -0.990559
S 8.214842 -1.833301 -1.429221
O -9.730607 1.762723 -0.026895
O -8.240092 0.239171 -1.943571
O -7.669101 2.959676 -1.612678
O 5.894587 -0.640123 -0.627245
O 6.674016 2.682639 0.482349
N -3.490187 0.013966 1.128866
N 7.698419 0.703022 -0.404616
C -4.887406 0.359475 1.454799
C -5.702396 0.777491 0.196177
C -3.138516 -1.252934 0.594945
C -1.761750 -1.525837 0.259476
C -7.137392 1.124927 0.590806
C -2.507164 0.990205 1.286639
C -0.715607 -0.494225 0.453260
C -1.185431 0.772883 0.976125
C -4.132899 -2.251924 0.397369
C -1.461286 -2.817949 -0.259662
C -3.791733 -3.513960 -0.116016
C -2.445745 -3.800730 -0.447454
C 0.642045 -0.725889 0.155173
C 1.712214 0.199960 0.319447
C 9.089119 1.190962 -0.403798
C 5.436975 0.607889 -0.098064
C 3.044002 -0.090518 0.008571
C 6.590208 1.496393 0.057904
C 4.106936 0.843079 0.188283
C 7.302339 -0.563952 -0.812740
C 9.853957 0.763365 0.864590
H -5.371626 -0.492021 1.965613
H -4.868701 1.194934 2.176769
H -5.213180 1.647876 -0.278646
H -5.700271 -0.047444 -0.539137
H -7.242277 2.035779 1.200785
H -7.706798 0.288131 1.025618
H -2.852655 1.947023 1.686709
H -0.486860 1.594470 1.143285
H -5.179946 -2.053818 0.639662
H -0.428883 -3.058703 -0.525098
H -4.572056 -4.267851 -0.262112
H -2.172238 -4.780451 -0.851161
H 0.932442 -1.706948 -0.237600
H 1.500032 1.203585 0.715652
H 9.030514 2.291278 -0.471337
H 9.582050 0.793165 -1.308107
H -10.453530 2.030673 -0.663493
H 3.297665 -1.081451 -0.390780
H 3.890371 1.843109 0.587786
H 9.366483 1.162604 1.770556
H 9.904403 -0.336561 0.937408
H 10.886042 1.155395 0.825973


