%chk=000235595.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235595

0 1
S 6.253181 0.230206 0.099499
O 2.350426 -2.868484 -0.565697
O 6.546662 0.689727 -1.500313
O 6.557592 1.379187 0.906031
O 7.010216 -0.988225 0.236546
O -2.756391 2.157482 0.270137
N -1.910798 0.026749 0.002209
N -8.172003 -1.297990 -0.153121
C 1.768681 -0.521314 -0.090560
C 2.267586 0.777184 0.183507
C 4.554715 -0.038759 0.037219
C 3.678079 0.999600 0.243511
C 0.368257 -0.751019 -0.151396
C -0.516504 0.300333 0.058459
C 2.732679 -1.574231 -0.297114
C 1.330049 1.840914 0.393279
C 4.092473 -1.352059 -0.235902
C -0.018541 1.617724 0.333700
C -2.971210 0.970828 0.140573
C -4.319334 0.350354 0.081575
C -5.272274 0.906735 -0.791435
C -4.676614 -0.724513 0.911818
C -6.908037 -0.714306 -0.036326
C -6.555158 0.382147 -0.862141
C -5.956741 -1.259598 0.862515
H 4.039378 2.011256 0.462998
H 0.014726 -1.757449 -0.365122
H 1.714951 2.841952 0.602788
H 4.793878 -2.178715 -0.388478
H -0.732577 2.438201 0.490768
H -2.166866 -0.945465 -0.195231
H 1.362305 -2.957312 -0.604290
H -4.995156 1.762342 -1.414151
H -3.948713 -1.135825 1.614506
H -7.281866 0.809531 -1.548209
H -6.225818 -2.092026 1.506911
H 7.393136 0.404580 -1.873603
H -8.492818 -1.917924 0.572536
H -8.903749 -0.787617 -0.620399


%chk=000235595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235595

0 1
S 6.388211 0.254163 0.189819
O 2.349639 -2.958783 -0.218510
O 6.685519 0.327994 -1.647131
O 6.680386 1.717295 0.816335
O 7.151313 -1.051907 0.766063
O -2.841250 2.224836 -0.086871
N -1.905249 0.067768 -0.073841
N -8.305684 -1.228447 0.033586
C 1.790953 -0.529441 -0.043672
C 2.302105 0.821664 0.081569
C 4.550454 -0.045057 0.083157
C 3.710666 1.057784 0.141024
C 0.379431 -0.729730 -0.091073
C -0.520781 0.352052 -0.029608
C 2.741657 -1.619502 -0.101418
C 1.362566 1.902222 0.139967
C 4.116895 -1.385894 -0.039542
C -0.011269 1.693216 0.083693
C -2.994290 0.963790 -0.055539
C -4.345312 0.327282 -0.019626
C -5.459633 1.141936 -0.363187
C -4.598121 -1.019360 0.365163
C -7.013222 -0.720416 0.019991
C -6.765539 0.636669 -0.352074
C -5.902471 -1.538832 0.387389
H 4.110378 2.071027 0.245273
H -0.040261 -1.743448 -0.172390
H 1.747817 2.923971 0.230183
H 4.823505 -2.219060 -0.069710
H -0.720983 2.520808 0.117379
H -2.146819 -0.921053 -0.163647
H 1.369623 -3.054618 -0.299066
H -5.264907 2.184416 -0.635367
H -3.785841 -1.676578 0.702315
H -7.606100 1.284319 -0.628338
H -6.073547 -2.575016 0.702539
H 7.674253 0.412711 -1.783320
H -8.488064 -2.191692 0.301182
H -9.098225 -0.642888 -0.215099


