%chk=000193106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193106

0 1
S -0.104961 -1.747329 0.072566
O 4.808559 0.174196 0.207502
O -4.844468 -0.508966 -0.011164
O -3.667853 1.454965 0.051731
N -0.704068 0.830737 0.097199
N -2.626826 -0.684804 0.033214
C 1.223740 -0.605320 0.118192
C 0.710829 0.717075 0.126524
C 3.441065 0.230983 0.178726
C 2.585445 -0.879026 0.143733
C 1.595575 1.814319 0.161993
C 2.957551 1.567848 0.187981
C -1.274395 -0.345411 0.067613
C 5.452980 -1.143347 0.202895
C 6.928119 -0.799445 0.239175
C -3.689055 0.253558 0.028167
C -6.104887 0.259463 -0.023420
C -7.166389 -0.815961 -0.067796
H 2.953792 -1.898186 0.136681
H 1.195015 2.830059 0.168315
H 3.681880 2.381746 0.215766
H 5.118395 -1.696244 1.097270
H 5.157253 -1.671052 -0.719915
H -2.876755 -1.681474 0.009280
H 7.549608 -1.702162 0.240223
H 7.217222 -0.187162 -0.627137
H 7.179484 -0.211113 1.133413
H -6.129624 0.872910 0.893995
H -6.090277 0.908759 -0.916052
H -8.172446 -0.378098 -0.080982
H -7.062054 -1.449243 -0.960153
H -7.100355 -1.484175 0.802467


%chk=000193106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193106

0 1
S -0.072410 -1.828462 0.076359
O 4.887980 0.246735 0.209886
O -4.870281 -0.567584 -0.012225
O -3.672150 1.464828 0.054182
N -0.714638 0.813478 0.097521
N -2.625775 -0.682069 0.035763
C 1.249138 -0.581616 0.121149
C 0.691291 0.736962 0.127131
C 3.487611 0.318388 0.181130
C 2.636046 -0.815569 0.147590
C 1.567094 1.849293 0.161089
C 2.953648 1.638267 0.187847
C -1.269980 -0.367184 0.069626
C 5.511993 -1.090910 0.204737
C 7.022428 -0.875281 0.238502
C -3.701891 0.220657 0.030146
C -6.148063 0.203011 -0.025678
C -7.277902 -0.819916 -0.073139
H 3.035421 -1.831950 0.142425
H 1.144968 2.857929 0.166008
H 3.654149 2.477560 0.214390
H 5.166638 -1.661603 1.091786
H 5.203528 -1.637479 -0.710669
H -2.893195 -1.668315 0.011862
H 7.544234 -1.849547 0.234827
H 7.352946 -0.297634 -0.641137
H 7.316925 -0.323703 1.147190
H -6.184111 0.831812 0.882342
H -6.142782 0.869483 -0.907083
H -8.251403 -0.296836 -0.083412
H -7.209793 -1.442808 -0.981168
H -7.249564 -1.481835 0.809025


