%chk=000231912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231912

0 1
S -0.001198 2.744299 0.155314
O -0.003123 3.808421 -0.842711
O 0.000202 3.073864 1.573029
O 6.368399 -2.185395 -0.821903
O -6.366001 -2.194505 -0.807031
O 5.058118 -1.852139 1.033272
O -5.052197 -1.858990 1.045240
N 4.707465 -0.702247 -0.999544
N -4.707556 -0.709052 -0.988578
C 1.366974 1.727969 -0.162948
C -1.368627 1.725993 -0.159778
C 1.893336 0.916814 0.847737
C -1.891618 0.914263 0.852207
C 1.970239 1.746695 -1.424740
C -1.974693 1.743643 -1.420236
C 3.582083 0.107303 -0.675511
C -3.582590 0.102124 -0.667176
C 2.993067 0.097477 0.602170
C -2.990735 0.093346 0.609208
C 3.071825 0.939483 -1.697782
C -3.075752 0.934832 -1.690711
C 5.336425 -1.599005 -0.115825
C -5.333338 -1.606506 -0.103310
C 7.221681 -3.123389 -0.079830
C -7.216384 -3.133489 -0.062890
C 8.147011 -2.363648 0.842998
C -8.140638 -2.374818 0.861880
H 1.447715 0.929261 1.849853
H -1.443786 0.927510 1.853329
H 1.581415 2.411171 -2.206627
H -1.588534 2.408509 -2.203108
H 3.395697 -0.538801 1.398170
H -3.390716 -0.543358 1.406204
H 3.530256 0.963406 -2.682903
H -3.536372 0.957942 -2.674829
H 5.096493 -0.626755 -1.946529
H -5.098743 -0.634315 -1.934733
H 7.742963 -3.614318 -0.923240
H 6.570226 -3.837227 0.455297
H -7.738906 -3.625245 -0.905049
H -6.562782 -3.846370 0.470892
H 8.898686 -3.025057 1.291653
H 7.591526 -1.893244 1.669950
H 8.681232 -1.562153 0.315972
H -8.890535 -3.037112 1.312198
H -8.676971 -1.574012 0.335952
H -7.583940 -1.903675 1.687596


%chk=000231912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231912

0 1
S -0.001065 2.612499 0.217363
O -0.003188 3.778581 -0.937053
O 0.000459 2.926391 1.825024
O 6.759663 -2.084018 -0.844150
O -6.757362 -2.093943 -0.828049
O 5.468931 -1.826457 1.113502
O -5.463115 -1.833421 1.126884
N 4.964182 -0.725142 -0.928371
N -4.963872 -0.732734 -0.916691
C 1.511677 1.533192 -0.126151
C -1.512924 1.530874 -0.122695
C 2.058089 0.781202 0.925216
C -2.056226 0.778781 0.930209
C 2.082539 1.582354 -1.408134
C -2.086328 1.578388 -1.403607
C 3.802179 0.019216 -0.611573
C -3.802237 0.013371 -0.602683
C 3.212619 0.009060 0.683529
C -3.210140 0.004873 0.691271
C 3.235607 0.813035 -1.649053
C -3.238772 0.807281 -1.641790
C 5.695837 -1.560776 -0.092036
C -5.692858 -1.568666 -0.078319
C 7.706002 -2.966492 -0.098228
C -7.700998 -2.977279 -0.079724
C 8.770723 -2.139010 0.626124
C -8.765441 -2.150825 0.646216
H 1.606924 0.820188 1.922233
H -1.603160 0.819066 1.926313
H 1.651197 2.228411 -2.179545
H -1.657418 2.224530 -2.176303
H 3.663638 -0.588688 1.477676
H -3.658790 -0.592987 1.486675
H 3.704422 0.834756 -2.640232
H -3.709526 0.827700 -2.632075
H 5.328666 -0.651579 -1.880924
H -5.330349 -0.660284 -1.868566
H 8.138218 -3.602215 -0.887141
H 7.124478 -3.582460 0.610032
H -8.133879 -3.614096 -0.867388
H -7.117234 -3.592000 0.627778
H 9.509228 -2.814292 1.096877
H 8.315351 -1.523074 1.419642
H 9.306552 -1.480098 -0.078768
H -9.501990 -2.826849 1.118963
H -9.303673 -1.493197 -0.058042
H -8.309336 -1.533669 1.438364


