%chk=000191939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191939

0 1
S -2.188881 0.470376 0.275545
O -1.457198 1.748860 1.098402
O -2.981533 -0.153105 1.287674
O -2.715524 1.000488 -0.933301
O -1.908469 -2.153664 -0.807248
N -0.756689 -0.471576 -0.073882
N -0.819780 -1.717116 -0.596876
C 0.624634 0.119792 0.125922
C 1.469653 -0.788499 1.038669
C 1.308675 0.334321 -1.237445
C 2.855371 -0.162655 1.246654
C 2.695752 0.955584 -1.026017
C 3.558756 0.094194 -0.093487
H 0.487491 1.117917 0.630059
H 1.576016 -1.796952 0.590299
H 0.964670 -0.941756 2.010105
H 0.690887 0.984696 -1.885401
H 1.404613 -0.628481 -1.777895
H 3.473888 -0.832461 1.874451
H 2.763936 0.784550 1.812699
H 2.594399 1.977413 -0.611240
H 3.200861 1.075031 -2.003815
H 4.532990 0.588303 0.081107
H 3.789790 -0.871263 -0.584795
H -1.826708 1.937104 1.980817


%chk=000191939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191939

0 1
S -2.635074 0.508732 0.432353
O -1.476683 1.896247 1.021168
O -3.447323 0.003040 1.744475
O -3.495590 1.119681 -0.801384
O -1.858804 -2.390327 -0.931590
N -0.618358 -0.629006 -0.122752
N -0.798309 -1.762577 -0.659724
C 0.727500 -0.018926 0.111823
C 1.610071 -0.937079 0.994289
C 1.409694 0.332908 -1.234603
C 2.974346 -0.251075 1.249866
C 2.776206 1.008270 -0.963311
C 3.681121 0.122392 -0.074967
H 0.485642 0.910348 0.657003
H 1.761782 -1.900564 0.468035
H 1.096059 -1.151243 1.949158
H 0.755490 1.000201 -1.824468
H 1.555785 -0.599719 -1.815949
H 3.611574 -0.926830 1.850882
H 2.818115 0.663308 1.857354
H 2.610594 1.985581 -0.466691
H 3.272234 1.222003 -1.928665
H 4.631501 0.646488 0.138864
H 3.942054 -0.804561 -0.625277
H -2.052025 2.623811 1.395113


