%chk=000253302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253302

0 1
S -3.186810 -0.341923 -0.091891
O -0.046549 2.792771 -1.404780
O -0.970138 1.099092 -2.547473
O -1.904853 -4.774714 0.164212
O -0.318299 -3.909386 -1.163218
N -0.513053 -0.357452 -0.056708
N -0.346851 -2.151741 1.404778
C -2.369349 1.245558 0.412147
C -0.891978 1.070062 -0.049424
C -1.638917 -1.259544 -0.442306
C -1.483002 -2.484328 0.501896
C 0.118031 -0.964393 1.108341
C -2.453903 1.352857 1.923415
C -3.094548 2.371877 -0.292109
C -0.679445 1.569901 -1.480875
C 1.236790 -0.298279 1.841111
C -1.116031 -3.741375 -0.277018
C 2.178786 0.481469 0.962328
C 2.692883 -0.092506 -0.210167
C 2.567769 1.775860 1.336253
C 3.587300 0.628917 -1.004106
C 3.465879 2.490638 0.537876
C 3.976154 1.920339 -0.632037
H -0.198757 1.655000 0.622932
H -1.573310 -1.500653 -1.531914
H -2.396742 -2.687859 1.129384
H -1.947015 0.524958 2.437821
H -2.018171 2.291843 2.290246
H -3.497157 1.335611 2.274604
H -2.563092 3.328448 -0.180362
H -3.220762 2.192947 -1.372262
H -4.107152 2.523720 0.109113
H 1.827232 -1.080918 2.387950
H 0.810646 0.339239 2.649214
H 0.166694 3.175260 -2.297348
H -1.697267 -5.638982 -0.285248
H 2.385523 -1.096469 -0.508367
H 2.181341 2.227951 2.246596
H 3.981795 0.181890 -1.916333
H 3.767313 3.495473 0.829843
H 4.674915 2.478741 -1.251812


%chk=000253302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253302

0 1
S -3.409868 -0.467955 0.222941
O -0.721072 2.936178 -1.640738
O -1.349927 0.889257 -2.542431
O -1.414186 -4.457698 -0.869778
O 0.651712 -3.392107 -0.839585
N -0.702894 -0.217985 0.068050
N -0.268135 -1.978781 1.508069
C -2.631355 1.278949 0.524824
C -1.157099 1.166847 -0.074823
C -1.704185 -1.216301 -0.325811
C -1.244635 -2.474986 0.487942
C -0.006490 -0.724039 1.202665
C -2.550203 1.527872 2.046883
C -3.504080 2.342347 -0.170231
C -1.097321 1.592458 -1.543621
C 1.035465 0.094507 1.921847
C -0.531162 -3.456189 -0.449589
C 2.217190 0.492490 1.031481
C 2.742435 -0.414910 0.075503
C 2.829384 1.760353 1.188534
C 3.865631 -0.056002 -0.701312
C 3.955602 2.117989 0.412165
C 4.477810 1.208804 -0.535676
H -0.493150 1.841103 0.489161
H -1.764256 -1.347995 -1.414078
H -2.087986 -2.993485 0.967910
H -1.924413 0.770577 2.549189
H -2.136906 2.535177 2.253984
H -3.556470 1.471449 2.496427
H -3.043430 3.343639 -0.074023
H -3.645253 2.114949 -1.240309
H -4.502195 2.378538 0.299802
H 1.384723 -0.536052 2.759202
H 0.585666 1.001722 2.370319
H -0.695385 3.208087 -2.598743
H -0.950369 -5.063404 -1.510238
H 2.270111 -1.395031 -0.065207
H 2.429476 2.469908 1.924623
H 4.262152 -0.764479 -1.437268
H 4.420860 3.101234 0.545991
H 5.350109 1.482864 -1.139747


