%chk=000257614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257614

0 1
S -3.909769 -0.111457 0.282867
O 3.218000 1.854493 -0.100550
O 2.256047 -2.613515 -0.131777
N 0.977723 1.293836 0.021145
N 2.707216 -0.395534 -0.114677
N -1.329154 0.652626 0.145100
N -0.602829 -2.052593 0.048673
N -1.829778 -1.738727 0.127517
C 0.013296 0.299200 0.058638
C 0.379804 -1.079907 0.009702
C 2.386772 0.973794 -0.068658
C 1.780212 -1.510137 -0.081706
C 0.587746 2.727791 0.072539
C -2.204716 -0.372854 0.176676
C -4.085964 1.673970 0.328428
H -0.066486 2.979201 -0.781368
H 1.490377 3.369097 0.031623
H 0.039623 2.943961 1.006997
H 3.714001 -0.625539 -0.178895
H -3.576872 2.123314 1.193092
H -5.158563 1.906218 0.398048
H -3.683984 2.157665 -0.573313


%chk=000257614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257614

0 1
S -3.965960 -0.123247 0.283934
O 3.212126 1.917455 -0.101040
O 2.289808 -2.651472 -0.130647
N 0.942972 1.291306 0.022697
N 2.666742 -0.350861 -0.110046
N -1.316961 0.617746 0.142704
N -0.568616 -2.110306 0.043478
N -1.880277 -1.782662 0.126003
C 0.003393 0.269427 0.058345
C 0.381660 -1.108453 0.009238
C 2.340023 1.011448 -0.065895
C 1.809961 -1.493077 -0.081426
C 0.512290 2.707404 0.076125
C -2.194130 -0.414029 0.172913
C -3.992892 1.758663 0.326005
H -0.149989 2.932661 -0.774774
H 1.419857 3.325839 0.030437
H -0.037275 2.899598 1.011262
H 3.670666 -0.552443 -0.173239
H -3.440180 2.119447 1.204663
H -5.056757 2.032291 0.393327
H -3.543762 2.158171 -0.593962