%chk=000199172.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199172

0 1
S -2.288701 0.879385 -3.038306
O 2.925852 1.201256 -2.316037
O 5.764433 -1.063348 0.541687
N 0.638253 0.432190 -0.369266
N 3.540820 -1.028325 1.134041
N 4.344498 0.069505 -0.893798
N 1.067294 -0.805792 1.506379
N -3.019718 0.265402 -0.563608
N -4.756482 1.051918 -2.103008
C 2.019482 0.163613 -0.364360
C 2.254427 -0.599234 0.813808
C -0.079475 1.160939 -1.432093
C 3.050771 0.551081 -1.294676
C 0.102938 -0.173874 0.759886
C 4.634496 -0.697923 0.276847
C -0.750623 0.178191 -2.391990
C 3.780216 -1.815936 2.367465
C 5.517181 0.389868 -1.754073
C -3.470966 0.667138 -1.710330
C -3.797961 0.073831 0.615834
C -3.607273 -1.130632 1.321733
C -4.648465 1.071729 1.127794
C -4.270125 -1.325342 2.533428
C -5.300770 0.858299 2.344149
C -5.118324 -0.336668 3.046336
H -0.821828 1.842460 -0.946396
H 0.653125 1.810178 -1.982824
H -0.955568 -0.144482 1.019137
H -0.104032 -0.037306 -3.270274
H -0.951726 -0.802251 -1.905746
H 4.855317 -2.061571 2.460732
H 3.197819 -2.754209 2.338942
H 3.464599 -1.239250 3.255485
H 5.193082 0.991201 -2.624343
H 5.992779 -0.538006 -2.115969
H 6.268016 0.962685 -1.182582
H -5.533655 0.782976 -1.510515
H -4.989232 1.083818 -3.086452
H -2.945577 -1.897764 0.922183
H -4.774681 2.012913 0.596860
H -4.123553 -2.254126 3.085198
H -5.954287 1.631366 2.747864
H -5.629977 -0.496900 3.992959


%chk=000199172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199172

0 1
S -1.945539 1.011209 -2.808832
O 2.643916 1.018696 -2.377998
O 6.143331 -1.115202 -0.041573
N 0.914813 0.446506 0.163785
N 4.064981 -0.969435 1.039929
N 4.387012 -0.050424 -1.173025
N 1.784492 -0.675030 1.961788
N -3.142899 0.213827 -0.462229
N -4.564943 1.131984 -2.187279
C 2.253193 0.152567 -0.147618
C 2.752831 -0.526394 0.977225
C -0.067969 1.132099 -0.702424
C 3.040250 0.433060 -1.319759
C 0.686423 -0.075271 1.426788
C 4.937342 -0.737284 -0.049491
C -0.567918 0.197244 -1.820627
C 4.558846 -1.679282 2.236181
C 5.325649 0.171829 -2.297250
C -3.356736 0.738787 -1.636270
C -4.145310 0.037010 0.531115
C -4.229889 -1.218785 1.194411
C -5.010743 1.093187 0.946624
C -5.170930 -1.420738 2.225494
C -5.941512 0.884126 1.988340
C -6.034727 -0.373558 2.628063
H -0.918704 1.429156 -0.068597
H 0.405931 2.025359 -1.140613
H -0.280793 -0.001713 1.918704
H 0.227904 -0.013230 -2.552910
H -0.985103 -0.730367 -1.398593
H 5.616029 -1.926678 2.062841
H 3.972374 -2.599011 2.398378
H 4.456786 -1.035579 3.125680
H 4.773541 0.707023 -3.083341
H 5.699432 -0.793965 -2.674687
H 6.189052 0.765727 -1.955845
H -5.421344 1.018338 -1.645103
H -4.633340 1.418359 -3.161595
H -3.550493 -2.019975 0.885499
H -4.917492 2.084556 0.486450
H -5.226312 -2.396621 2.721184
H -6.590044 1.709178 2.305235
H -6.758989 -0.532283 3.434045


