%chk=000257071.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257071

0 1
S -0.692631 0.615642 -0.831649
O -0.158269 -2.436823 1.223196
O -2.959640 -0.948154 1.357446
O -3.222225 -1.450884 -0.813188
N 0.125541 -2.255170 -1.011379
C 0.373943 -0.206735 0.415833
C 0.058611 0.218868 1.853275
C 1.793943 0.120177 0.016743
C -2.363457 0.760880 -0.121733
C 0.074410 -1.715402 0.264563
C -3.180640 1.583638 -1.119186
C 0.272066 1.697612 2.139965
C 2.800777 -0.841941 0.215289
C 2.140568 1.374678 -0.506410
C -2.894995 -0.641034 0.017103
C -4.565733 1.906458 -0.565381
C 4.123377 -0.561868 -0.132029
C 3.467421 1.647755 -0.856887
C 4.460208 0.682282 -0.675659
H -0.979628 -0.087610 2.119905
H 0.696727 -0.389864 2.537556
H -2.327536 1.268296 0.877695
H -3.281886 1.034283 -2.081953
H -2.646744 2.527892 -1.359646
H -0.018719 1.936767 3.170752
H 1.327102 1.982565 2.028696
H -0.309621 2.347179 1.476787
H 2.559100 -1.814200 0.649026
H 1.393432 2.159278 -0.637907
H -4.514591 2.467071 0.375412
H -5.152777 0.998337 -0.376638
H -5.138730 2.515095 -1.276496
H 4.894396 -1.315622 0.023242
H 3.724690 2.621834 -1.270812
H -0.176412 -3.211227 -1.145407
H 0.177400 -1.692397 -1.846679
H 5.490967 0.897353 -0.951106
H -3.189844 -1.901906 1.534762


%chk=000257071-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257071

0 1
S -0.699956 0.784798 -0.910248
O 0.373073 -2.486305 1.248669
O -2.839115 -1.269092 1.085514
O -3.506826 -1.277459 -1.143021
N -0.227761 -2.195471 -0.969021
C 0.412934 -0.176132 0.373943
C 0.116294 0.278172 1.832876
C 1.886354 0.113690 -0.012010
C -2.466292 0.748977 -0.159946
C 0.161645 -1.718445 0.259870
C -3.327099 1.694637 -1.023292
C 0.333113 1.776347 2.111379
C 2.896377 -0.777819 0.444282
C 2.282352 1.268662 -0.734242
C -2.998011 -0.675166 -0.172666
C -4.747115 1.879425 -0.441301
C 4.257489 -0.526132 0.169163
C 3.646083 1.515571 -1.013330
C 4.641091 0.619731 -0.565271
H -0.910999 -0.030511 2.098546
H 0.779819 -0.327318 2.477948
H -2.387196 1.108511 0.877823
H -3.393512 1.284446 -2.047757
H -2.814709 2.672649 -1.086164
H 0.108353 1.996242 3.170828
H 1.377058 2.078733 1.916471
H -0.320128 2.410011 1.482986
H 2.613847 -1.667518 1.017271
H 1.528482 1.984742 -1.076993
H -4.712739 2.284011 0.587286
H -5.299939 0.923250 -0.420216
H -5.324973 2.585577 -1.063580
H 5.018160 -1.228047 0.529177
H 3.926611 2.411936 -1.577980
H -0.327744 -3.202596 -1.092066
H -0.466114 -1.552745 -1.727504
H 5.697917 0.811353 -0.781905
H -3.106224 -2.227610 1.051584


