%chk=000206531.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206531

0 1
S -5.755811 0.665129 -0.329979
O 0.785422 1.073002 1.214379
O -0.019595 -2.765412 -1.232383
O -5.983760 1.932182 0.336248
O -6.244594 0.428741 -1.673878
N 0.026576 -0.753802 -0.022758
N -6.526752 -0.517513 0.655664
C 2.391995 -0.701044 0.559533
C 2.089178 -1.913179 -0.359431
C 2.769221 -1.174301 1.986048
C 1.032227 0.035810 0.657769
C 3.496487 0.158584 -0.029414
C 0.603180 -1.934047 -0.627436
C 3.083081 -0.022755 2.932378
C -1.370820 -0.405159 -0.098934
C 3.352864 1.538057 -0.222753
C 4.713343 -0.459418 -0.370289
C -2.181249 -0.972926 -1.101533
C -1.922630 0.501725 0.826570
C 4.401837 2.285487 -0.769405
C 5.757571 0.290408 -0.913879
C 5.603421 1.665880 -1.119447
C -3.531863 -0.635849 -1.165235
C -3.274962 0.828600 0.744457
C -4.085850 0.259498 -0.243542
H 2.416691 -2.876169 0.079803
H 2.632909 -1.845709 -1.328119
H 3.649890 -1.845816 1.918638
H 1.947431 -1.791242 2.402892
H 3.968573 0.540455 2.608616
H 2.254956 0.699716 2.992859
H 3.276236 -0.385272 3.948374
H 2.432021 2.053743 0.061833
H 4.852144 -1.526512 -0.205868
H -1.769188 -1.682864 -1.825140
H -1.302505 0.965640 1.599410
H 4.276601 3.357979 -0.918857
H 6.695703 -0.196865 -1.176892
H 6.417290 2.249455 -1.546518
H -4.157941 -1.071205 -1.954018
H -3.699141 1.545895 1.458193
H -6.968372 -0.207823 1.518179
H -7.128013 -1.201305 0.201965


%chk=000206531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206531

0 1
S -5.919794 0.596547 -0.199080
O 0.811418 1.325173 0.815375
O -0.082470 -2.944465 -0.938655
O -6.147987 1.927909 0.711106
O -6.417211 0.461623 -1.744353
N 0.028287 -0.728274 -0.068963
N -6.693676 -0.794278 0.725399
C 2.393745 -0.592041 0.437074
C 2.093546 -1.870965 -0.399852
C 2.665654 -1.015810 1.939523
C 1.046390 0.160982 0.416559
C 3.593859 0.202948 -0.109524
C 0.580446 -1.971870 -0.515297
C 2.902966 0.143094 2.925502
C -1.375600 -0.412836 -0.096388
C 3.609389 1.614441 -0.241175
C 4.765555 -0.523029 -0.456615
C -2.175607 -0.882451 -1.169377
C -1.945919 0.367222 0.941861
C 4.762634 2.276088 -0.723521
C 5.917836 0.138185 -0.931719
C 5.920348 1.545407 -1.070244
C -3.553156 -0.587225 -1.198832
C -3.321664 0.671499 0.915262
C -4.086455 0.177934 -0.151489
H 2.490937 -2.797969 0.045715
H 2.507606 -1.790039 -1.421639
H 3.557690 -1.672179 1.918117
H 1.816250 -1.641613 2.283052
H 3.792553 0.731665 2.642144
H 2.042438 0.832435 2.961149
H 3.067148 -0.257539 3.942110
H 2.726885 2.195530 0.038945
H 4.783112 -1.615621 -0.358534
H -1.731607 -1.481221 -1.966470
H -1.322101 0.747147 1.752327
H 4.753143 3.367135 -0.824308
H 6.808834 -0.442767 -1.194866
H 6.811688 2.062698 -1.441784
H -4.187928 -0.919000 -2.026053
H -3.781971 1.291801 1.690333
H -7.192034 -0.398024 1.539217
H -7.311376 -1.308444 0.076070


