%chk=000275694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275694

0 1
S -1.204169 -0.355161 0.936631
S 1.748139 0.005939 1.687570
O -1.527066 -1.579656 1.620230
O -0.675185 -0.370794 -0.418542
O 2.527936 0.897667 2.514595
O 1.751785 -1.403747 1.962447
O -7.390805 -2.756830 -1.704785
O 7.451516 -2.589059 -2.172787
O -7.432821 -1.000070 -2.966905
O 8.338313 -1.212721 -0.759597
N -6.983698 -1.657860 -2.042003
N 7.380063 -1.710086 -1.328975
C 0.014088 0.529351 1.878409
C -0.047115 2.001896 1.647485
C -2.664022 0.646592 0.994231
C 2.152946 0.298391 0.003037
C -3.767264 0.034404 0.190711
C 3.504969 -0.244125 -0.324718
C -0.002354 2.872907 2.749281
C -0.137309 2.537673 0.350078
C -4.327526 0.745726 -0.884706
C 4.643323 0.284496 0.311702
C -4.260589 -1.239216 0.524595
C 3.642677 -1.264359 -1.281060
C -0.050915 4.256263 2.555300
C -0.186402 3.921091 0.165171
C -0.146456 4.784300 1.264717
C -5.376058 0.193786 -1.618800
C 5.910093 -0.194724 -0.009834
C -5.307811 -1.798266 -0.203761
C 4.907579 -1.750018 -1.608556
C -5.865439 -1.074511 -1.270421
C 6.036882 -1.206769 -0.976159
H -0.199388 0.317014 2.966592
H -3.018854 0.781027 2.042812
H -2.474934 1.692276 0.660045
H 1.371956 -0.132349 -0.689233
H 2.130556 1.384611 -0.250445
H 0.102837 2.476790 3.760268
H -0.167743 1.885117 -0.529186
H -3.943180 1.728668 -1.155972
H 4.536224 1.063357 1.075963
H -3.808550 -1.810522 1.347233
H 2.759872 -1.689060 -1.763119
H -0.005716 4.924295 3.416932
H -0.251930 4.328732 -0.844595
H -0.181475 5.863209 1.115649
H -5.821065 0.736031 -2.461297
H 6.805275 0.205747 0.480307
H -5.698540 -2.792612 0.044970
H 5.029551 -2.548143 -2.350206


%chk=000275694-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000275694

0 1
S -0.670093 0.477783 0.243663
S 2.227848 1.976552 0.420166
O -0.084421 -1.050483 0.150798
O -0.779702 1.357887 -1.136980
O 2.013237 3.512590 -0.076787
O 3.381944 1.638991 1.525280
O -6.146853 -3.235362 -2.907782
O 5.564931 -4.715886 0.094157
O -6.509264 -1.168234 -3.804315
O 7.360317 -3.331233 -0.160205
N -5.969828 -1.957444 -2.937534
N 6.090183 -3.562215 -0.150276
C 0.493989 1.443017 1.484252
C -0.106345 2.639998 2.086291
C -2.550951 0.385891 1.076005
C 2.547278 0.835531 -1.310311
C -3.439313 -0.214691 0.057658
C 3.444909 -0.291847 -0.999486
C -0.063796 2.796359 3.503007
C -0.681136 3.665449 1.277015
C -4.044047 0.606271 -0.936368
C 4.855136 -0.087691 -0.967887
C -3.659860 -1.621250 0.035044
C 2.916824 -1.586220 -0.720418
C -0.610360 3.947991 4.102427
C -1.230962 4.808925 1.889567
C -1.199887 4.952596 3.297486
C -4.874064 0.041943 -1.920441
C 5.728351 -1.153157 -0.692396
C -4.489281 -2.198850 -0.942161
C 3.780509 -2.660973 -0.446076
C -5.086746 -1.354098 -1.903478
C 5.173701 -2.427480 -0.439230
H 0.894742 0.664754 2.151236
H -2.349412 -0.227209 1.965890
H -2.725771 1.445456 1.309682
H 1.513814 0.606491 -1.606518
H 2.979437 1.661452 -1.896065
H 0.405875 2.022389 4.120734
H -0.668814 3.566393 0.186981
H -3.851783 1.683782 -0.939310
H 5.262328 0.910942 -1.158950
H -3.176309 -2.258297 0.782816
H 1.830957 -1.731517 -0.706370
H -0.573479 4.066272 5.190251
H -1.666503 5.599610 1.269881
H -1.622028 5.848475 3.765658
H -5.350214 0.649152 -2.694225
H 6.812965 -1.022862 -0.665158
H -4.678402 -3.274496 -0.979487
H 3.402553 -3.664750 -0.236431


