%chk=000299577.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299577

0 1
S -1.725602 -0.000030 0.000073
O -2.423750 1.254978 0.000334
O -2.423707 -1.255058 -0.000149
N -0.550341 0.000251 -1.291667
N -0.550268 -0.000265 1.291745
N 1.047075 1.465696 0.000260
N 1.047135 -1.465646 -0.000272
C 0.258132 1.259545 -1.252148
C 0.258274 -1.258968 -1.252644
C 0.258292 1.258988 1.252676
C 0.258254 -1.259527 1.252180
C 2.361428 0.775671 -0.000021
C 2.361459 -0.775567 -0.000063
H -0.448172 2.126566 -1.357001
H 0.939866 1.285326 -2.134034
H 0.940091 -1.284268 -2.134480
H -0.447939 -2.126008 -1.357948
H 0.940156 1.284316 2.134474
H -0.447951 2.125998 1.358017
H -0.448007 -2.126576 1.357073
H 0.940039 -1.285279 2.134027
H 2.929205 1.144414 0.884643
H 2.928866 1.144460 -0.884884
H 2.929204 -1.144286 -0.884759
H 2.928963 -1.144332 0.884767


%chk=000299577-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299577

0 1
S -1.800892 -0.000032 0.000073
O -2.568730 1.422864 0.000362
O -2.568673 -1.422958 -0.000173
N -0.508815 0.000268 -1.435753
N -0.508735 -0.000278 1.435828
N 1.076572 1.402377 0.000250
N 1.076629 -1.402324 -0.000262
C 0.280798 1.293939 -1.229890
C 0.280883 -1.293436 -1.230381
C 0.280900 1.293457 1.230413
C 0.280919 -1.293918 1.229922
C 2.418063 0.793504 0.000062
C 2.418095 -0.793398 -0.000151
H -0.472135 2.100889 -1.258276
H 0.937091 1.387470 -2.113235
H 0.937207 -1.386567 -2.113745
H -0.471999 -2.100421 -1.259111
H 0.937269 1.386613 2.113740
H -0.472013 2.100411 1.259185
H -0.471980 -2.100898 1.258351
H 0.937265 -1.387421 2.113230
H 2.960802 1.170486 0.886914
H 2.960643 1.170727 -0.886784
H 2.960798 -1.170358 -0.887034
H 2.960741 -1.170598 0.886664


