%chk=000229494.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229494

0 1
S -0.034384 0.892091 -0.674459
O 0.597756 0.003716 -1.634747
O -0.074516 2.320031 -0.896778
N 0.803628 0.701033 0.834243
N 3.475758 2.927575 -1.616103
N 2.396292 -3.883579 1.339975
C 1.759294 1.754190 1.235357
C 1.075182 -0.669670 1.310155
C -1.603590 0.287389 -0.313778
C 3.179198 1.646260 0.633796
C 2.042434 -1.477150 0.413019
C -2.500780 1.057708 0.434408
C -1.996928 -0.969273 -0.793546
C -4.170931 -0.692898 0.248688
C -3.777062 0.571472 0.719203
C -3.269303 -1.460731 -0.512904
C -5.534851 -1.220374 0.537488
C 3.326707 2.357441 -0.622712
C 2.240107 -2.814369 0.929263
H 1.843979 1.742196 2.347230
H 1.310747 2.746562 0.965758
H 0.099203 -1.207722 1.384949
H 1.479394 -0.627602 2.348447
H 3.919643 2.048571 1.366069
H 3.466016 0.571362 0.489564
H 1.659259 -1.518733 -0.647489
H 3.023154 -0.943318 0.319842
H -2.207330 2.049798 0.794236
H -1.303196 -1.565300 -1.399728
H -4.469600 1.177261 1.301347
H -3.570137 -2.437647 -0.888703
H -6.072721 -0.633826 1.294990
H -6.158435 -1.216318 -0.371178
H -5.505987 -2.259445 0.898399


%chk=000229494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229494

0 1
S -0.065057 0.850084 -0.862657
O 0.464740 -0.168906 -2.019974
O -0.120471 2.464183 -1.066674
N 0.930699 0.608819 0.673089
N 4.074628 1.875239 -1.379632
N 2.860468 -3.915067 0.979982
C 1.589713 1.787127 1.232580
C 1.268009 -0.774199 1.010891
C -1.777909 0.242105 -0.356803
C 3.146336 1.854148 1.117551
C 2.401540 -1.428497 0.142627
C -2.603563 1.111181 0.372926
C -2.169417 -1.044067 -0.763011
C -4.332757 -0.650323 0.358722
C -3.889514 0.647724 0.728715
C -3.458354 -1.483101 -0.390213
C -5.723482 -1.132068 0.727346
C 3.654978 1.867243 -0.262877
C 2.669409 -2.802687 0.590576
H 1.342978 1.851358 2.312348
H 1.150893 2.670845 0.731995
H 0.360629 -1.403258 0.926344
H 1.558794 -0.786975 2.079343
H 3.479282 2.780162 1.625906
H 3.609288 1.011155 1.665154
H 2.083019 -1.426993 -0.916446
H 3.334601 -0.840525 0.196577
H -2.264801 2.118672 0.634729
H -1.499513 -1.662303 -1.369315
H -4.557917 1.305441 1.295382
H -3.790737 -2.483086 -0.691505
H -6.197478 -0.476079 1.476552
H -6.381368 -1.152613 -0.162305
H -5.699666 -2.158038 1.136378


