%chk=000189192.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189192

0 1
S -1.726026 -3.038547 1.500750
O -0.144701 -1.462946 0.242198
O 0.243407 0.146163 1.796490
O 1.254791 -2.501091 -1.124335
O -3.698864 1.477238 -0.090504
N 2.178712 -1.461276 0.761330
N -2.566342 -0.489845 -0.248968
C 4.216258 -0.429320 -0.287710
C 3.604490 -1.662582 0.390207
C 4.394224 0.752655 0.673768
C -2.071481 -0.405658 1.132025
C -2.615226 -1.529965 2.013028
C 5.085747 1.930229 -0.008495
C -0.533330 -0.493342 1.133137
C 1.193149 -1.834271 -0.122753
C -3.384798 0.522655 -0.779011
C -3.803050 0.309343 -2.201708
H 5.197636 -0.710897 -0.720792
H 3.594513 -0.122380 -1.152779
H 4.154691 -1.918228 1.324800
H 3.685990 -2.547602 -0.285647
H 3.408456 1.078198 1.062843
H 4.980952 0.437018 1.558845
H -2.362010 0.603577 1.569031
H -3.708291 -1.642877 1.876964
H -2.442937 -1.316943 3.085169
H 1.985557 -0.775336 1.506504
H 4.514396 2.290651 -0.872086
H 5.198873 2.775022 0.681299
H 6.086871 1.663635 -0.365769
H -2.285341 -1.315732 -0.782991
H -4.399017 -0.604621 -2.332538
H -4.426522 1.153812 -2.541580
H -2.945053 0.247151 -2.886748
H -2.358925 -3.929090 2.295228


%chk=000189192-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189192

0 1
S -2.597988 -3.019674 1.876756
O -0.060649 -1.034362 -0.330193
O 0.190011 -0.568494 1.959207
O 1.550427 -1.699058 -1.877191
O -4.376428 0.871932 0.122755
N 2.227610 -1.352101 0.352680
N -2.633696 -0.563856 -0.383599
C 4.495637 -0.400954 -0.229113
C 3.665223 -1.647956 0.152613
C 4.533996 0.686151 0.868380
C -2.018347 -0.350142 0.924352
C -2.717140 -1.140345 2.066386
C 5.380315 1.910076 0.457141
C -0.521428 -0.648574 0.924671
C 1.360417 -1.398397 -0.690806
C -3.808211 0.094274 -0.708464
C -4.361651 -0.175519 -2.100333
H 5.528745 -0.738154 -0.449695
H 4.095006 0.023583 -1.170309
H 4.043392 -2.085980 1.094895
H 3.746152 -2.412743 -0.639382
H 3.501320 1.016158 1.099811
H 4.942818 0.249445 1.802963
H -2.148911 0.723087 1.184610
H -3.790559 -0.900621 2.040850
H -2.298392 -0.853686 3.042897
H 1.863667 -1.058097 1.271974
H 4.972629 2.384508 -0.454990
H 5.398444 2.673363 1.255935
H 6.425758 1.617496 0.244438
H -2.150774 -1.166652 -1.051573
H -5.359946 -0.637864 -2.010275
H -4.493630 0.785099 -2.626838
H -3.717297 -0.833118 -2.707899
H -1.359722 -3.154030 2.486547


