%chk=000188893.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188893

0 1
S -3.622485 0.832046 -0.957086
O -2.487620 1.233557 1.390287
N -1.598304 -0.521601 0.190271
C 0.754750 -0.160214 1.141421
C -0.635023 -0.868993 1.272085
C 1.483313 -0.676862 -0.129758
C 0.570940 1.359627 1.081880
C 1.552895 -0.538766 2.403078
C 2.883228 -0.149611 -0.285231
C -1.708439 -1.451593 -0.962195
C -2.773006 -2.536732 -0.720189
C -2.467515 0.526332 0.404532
C 3.114653 1.067873 -0.945668
C 3.975417 -0.882651 0.207121
C -2.815103 -3.524066 -1.881317
C 4.417700 1.546261 -1.103121
C 5.276703 -0.400078 0.046288
C 5.502057 0.814956 -0.607999
C -4.498623 2.321680 -0.353245
C -5.983872 2.060783 -0.438993
H -0.500640 -1.969986 1.301947
H -1.086489 -0.576547 2.252339
H 1.500938 -1.784743 -0.116157
H 0.883539 -0.398716 -1.021620
H 1.524038 1.885742 1.201048
H 0.133403 1.681684 0.130774
H -0.108606 1.714219 1.870107
H 1.055976 -0.190163 3.314917
H 2.547430 -0.073492 2.389423
H 1.703754 -1.617842 2.491199
H -1.929287 -0.883959 -1.895895
H -0.715102 -1.926184 -1.132301
H -3.770577 -2.069728 -0.585672
H -2.565280 -3.070210 0.227617
H 2.276249 1.642984 -1.334093
H 3.809574 -1.828635 0.717463
H -3.063020 -3.027260 -2.827394
H -3.577979 -4.294322 -1.713231
H -1.857816 -4.039383 -2.018445
H 4.588744 2.492181 -1.614380
H 6.118080 -0.973445 0.431532
H 6.515344 1.188888 -0.732263
H -4.186557 3.177273 -0.980573
H -4.175359 2.544376 0.689567
H -6.554815 2.938757 -0.104002
H -6.293007 1.217965 0.195924
H -6.313904 1.834002 -1.461589


%chk=000188893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188893

0 1
S -3.647765 0.882218 -1.358345
O -2.605947 1.379177 1.153290
N -1.625210 -0.420056 0.017519
C 0.695416 -0.081614 1.139318
C -0.734823 -0.720905 1.171394
C 1.473692 -0.608702 -0.121605
C 0.596174 1.463233 1.114841
C 1.397363 -0.536835 2.446096
C 2.919870 -0.152152 -0.254289
C -1.710649 -1.412419 -1.084613
C -2.750501 -2.527733 -0.822664
C -2.521485 0.624219 0.146892
C 3.247376 1.048610 -0.938447
C 3.983370 -0.923348 0.285565
C -2.792543 -3.549148 -1.979116
C 4.588910 1.473397 -1.066768
C 5.327233 -0.504766 0.159890
C 5.635780 0.698675 -0.515695
C -4.652587 2.330468 -0.661637
C -5.880278 1.865727 0.132000
H -0.634838 -1.823011 1.232257
H -1.246541 -0.369800 2.085779
H 1.445338 -1.718034 -0.097520
H 0.910110 -0.281969 -1.017096
H 1.600954 1.917749 1.173520
H 0.110240 1.819178 0.188238
H -0.008138 1.828835 1.963209
H 0.833289 -0.188734 3.331760
H 2.417024 -0.119438 2.509018
H 1.477972 -1.640216 2.503720
H -1.948090 -0.888870 -2.029467
H -0.710793 -1.861868 -1.213432
H -3.745646 -2.064232 -0.690761
H -2.502895 -3.042231 0.127160
H 2.443475 1.650820 -1.379072
H 3.755388 -1.864247 0.802128
H -3.077512 -3.061112 -2.929964
H -3.530498 -4.345798 -1.776965
H -1.808239 -4.032577 -2.129015
H 4.817338 2.402744 -1.601073
H 6.131394 -1.118195 0.582330
H 6.677205 1.023943 -0.617866
H -4.920309 2.931191 -1.547055
H -3.954501 2.895890 -0.022912
H -6.456085 2.743259 0.485241
H -5.568964 1.284322 1.016364
H -6.549780 1.239758 -0.483748


