%chk=000202203.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202203

0 1
S 2.206651 0.670983 1.613539
O 3.470550 1.328316 2.046414
N -4.475479 -0.438498 0.842915
C -2.134071 -0.507550 0.014129
C -0.684430 -0.868500 0.388152
C -2.598371 -1.252278 -1.252055
C -3.074618 -0.843446 1.195872
C 0.348536 -0.317780 -0.622690
C -4.056403 -0.894412 -1.560786
C -4.966637 -1.192936 -0.358025
C 0.512303 1.182038 -0.486127
C 1.666873 -1.047665 -0.458495
C 1.383450 1.739675 0.454041
C 2.616466 -0.640836 0.482204
C -5.385548 -0.670427 2.005045
C -0.213959 2.042512 -1.325654
C 1.951051 -2.160067 -1.267384
C 1.564321 3.117822 0.553248
C 3.843575 -1.289248 0.606318
C -0.053030 3.426940 -1.219163
C 3.172110 -2.827689 -1.136464
C 0.838170 3.968514 -0.285907
C 4.122808 -2.392698 -0.206039
H -2.201687 0.594423 -0.173367
H -0.574910 -1.969144 0.455576
H -0.455977 -0.485058 1.401644
H -2.495089 -2.344785 -1.114897
H -1.951403 -0.988345 -2.109220
H -2.986961 -1.916832 1.464776
H -2.771166 -0.257557 2.090360
H -0.038638 -0.531782 -1.658076
H -4.131724 0.181497 -1.818312
H -4.412565 -1.453101 -2.445008
H -5.998723 -0.843131 -0.577124
H -5.024367 -2.289088 -0.187802
H -5.041784 -0.060633 2.856193
H -5.462603 -1.715949 2.336465
H -6.394999 -0.312871 1.745310
H -0.903199 1.635022 -2.063062
H 1.225130 -2.501832 -2.002137
H 2.279354 3.527623 1.273726
H 4.585818 -0.927284 1.325072
H -0.622681 4.088360 -1.871582
H 3.387200 -3.689031 -1.768282
H 0.969426 5.046398 -0.215899
H 5.077729 -2.906972 -0.118043


%chk=000202203-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000202203

0 1
S 1.937210 0.597868 1.808243
O 3.298465 1.380026 2.385649
N -4.490896 -0.499559 0.996010
C -2.182621 -0.512309 0.014088
C -0.736644 -0.997304 0.276372
C -2.769881 -1.063099 -1.310339
C -3.089751 -0.933548 1.194964
C 0.338797 -0.432405 -0.715300
C -4.249967 -0.650301 -1.472860
C -5.072080 -1.072840 -0.240068
C 0.481365 1.089227 -0.617587
C 1.693088 -1.110254 -0.485235
C 1.208743 1.692762 0.432270
C 2.536936 -0.727047 0.579612
C -5.327926 -0.762090 2.182263
C -0.053087 1.958454 -1.601862
C 2.177144 -2.124758 -1.348825
C 1.439726 3.072613 0.532311
C 3.811290 -1.268784 0.801722
C 0.137229 3.357059 -1.517998
C 3.445984 -2.712476 -1.138914
C 0.888711 3.917528 -0.458930
C 4.269467 -2.281928 -0.072271
H -2.197817 0.595452 -0.029904
H -0.702638 -2.104315 0.215816
H -0.445531 -0.732644 1.313594
H -2.694028 -2.171770 -1.302374
H -2.185309 -0.707356 -2.180959
H -3.020634 -2.049693 1.324232
H -2.715446 -0.473786 2.130043
H 0.006713 -0.681664 -1.739990
H -4.320100 0.448670 -1.585688
H -4.682791 -1.110885 -2.381910
H -6.114148 -0.713530 -0.334580
H -5.109738 -2.195474 -0.189058
H -4.896203 -0.254559 3.063616
H -5.425068 -1.851612 2.424567
H -6.343117 -0.357762 2.018474
H -0.609475 1.533178 -2.446015
H 1.559393 -2.444282 -2.196988
H 2.061652 3.458413 1.348297
H 4.429336 -0.878936 1.618696
H -0.288078 4.008635 -2.289227
H 3.799767 -3.495294 -1.818870
H 1.051774 4.999310 -0.409198
H 5.260684 -2.724230 0.073510


