%chk=000234497.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234497

0 1
S 2.816091 2.034330 -0.086155
O -4.874236 -0.921056 0.215913
N 0.142034 1.527262 -0.004271
N 1.693907 -0.364203 0.019157
C -1.137116 0.875194 0.054677
C 3.875008 0.644334 -0.067826
C 3.099022 -0.548855 -0.009921
C 1.370841 0.917148 -0.013931
C -2.267308 1.712253 0.085565
C -1.288653 -0.527803 0.078593
C -3.687075 -0.231139 0.163225
C -3.550413 1.161843 0.139791
C -2.559316 -1.080736 0.132855
C 5.262132 0.610480 -0.101482
C 3.740011 -1.796608 0.014366
C 5.888701 -0.639202 -0.076806
C 5.133839 -1.823559 -0.019638
C -6.119147 -0.151391 0.252688
C -7.184813 -1.228219 0.306683
H 0.122044 2.549107 -0.032946
H -2.159898 2.795781 0.067896
H -0.414537 -1.189458 0.055125
H -4.412586 1.819991 0.162856
H -2.705634 -2.160192 0.152594
H 5.848571 1.526499 -0.145744
H 3.150322 -2.710602 0.058732
H 6.975201 -0.697464 -0.102117
H 5.651042 -2.783477 -0.001543
H -6.108760 0.486223 1.153035
H -6.176840 0.462609 -0.662178
H -8.190734 -0.795572 0.339116
H -7.125250 -1.891534 -0.568031
H -7.058847 -1.868983 1.191122


%chk=000234497-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234497

0 1
S 2.869598 2.157414 -0.074953
O -4.913302 -1.003908 0.233169
N 0.152273 1.524646 0.017795
N 1.730715 -0.312087 0.019362
C -1.110638 0.863958 0.072709
C 3.926668 0.676585 -0.068521
C 3.123269 -0.511956 -0.015554
C 1.409516 0.966831 -0.003744
C -2.273882 1.673292 0.081975
C -1.246453 -0.550751 0.118080
C -3.690413 -0.314658 0.179681
C -3.559562 1.096017 0.134934
C -2.527985 -1.124547 0.171024
C 5.330420 0.622574 -0.108444
C 3.761561 -1.774129 -0.002823
C 5.950030 -0.650486 -0.095042
C 5.170292 -1.834495 -0.042718
C -6.151163 -0.201481 0.241056
C -7.316237 -1.186018 0.294517
H 0.112924 2.544673 -0.008673
H -2.181896 2.766887 0.047841
H -0.349577 -1.172957 0.110745
H -4.435865 1.750134 0.140713
H -2.649138 -2.211580 0.206037
H 5.935549 1.533388 -0.148998
H 3.149779 -2.680132 0.037492
H 7.042754 -0.716092 -0.125528
H 5.669028 -2.809640 -0.033149
H -6.150874 0.470247 1.124848
H -6.193364 0.422089 -0.676381
H -8.276682 -0.639109 0.301906
H -7.300326 -1.854875 -0.582704
H -7.259416 -1.806835 1.204747


