%chk=000259107.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259107

0 1
S -0.009694 -2.716727 -0.344947
O -0.013966 -3.206247 -1.719982
O -0.009127 -3.666062 0.761055
N 4.741930 0.788029 0.359466
N -4.742971 0.808280 0.381600
N 6.247696 2.501482 -0.239561
N -6.244143 2.528185 -0.210408
C 1.359353 -1.670121 -0.158221
C -1.373376 -1.664290 -0.151806
C 1.954015 -1.088647 -1.280790
C -1.903047 -1.429495 1.123613
C 1.895983 -1.437612 1.114723
C -1.970792 -1.080278 -1.271612
C 3.577444 0.010808 0.143704
C -3.582835 0.026088 0.160446
C 3.052399 -0.241000 -1.142555
C -2.994971 -0.584599 1.291421
C 2.992263 -0.597397 1.277425
C -3.064879 -0.227959 -1.128261
C 4.967691 1.915831 -0.274686
C -4.966830 1.937067 -0.251463
C 6.277256 3.985274 -0.312129
C 7.259201 1.924541 0.681217
C -7.253864 1.955531 0.714983
C -6.267700 4.012091 -0.282786
H 1.561976 -1.306874 -2.281147
H -1.462372 -1.924292 1.996432
H 1.457270 -1.930557 1.989577
H -1.584352 -1.300187 -2.273776
H 3.521131 0.191185 -2.021804
H -3.417462 -0.403524 2.278749
H 3.420149 -0.418132 2.262759
H -3.535882 0.206235 -2.005305
H 4.244331 2.453634 -0.917656
H -4.244162 2.471814 -0.897750
H 6.015719 4.474200 0.640625
H 7.294123 4.310219 -0.596447
H 5.592224 4.351170 -1.094190
H 7.045802 2.124030 1.743580
H 7.282420 0.823257 0.555278
H 8.255934 2.315865 0.428009
H -7.034901 2.154308 1.776343
H -8.250105 2.350912 0.466159
H -7.282188 0.854333 0.589334
H -7.284421 4.341370 -0.562615
H -5.999901 4.499834 0.668832
H -5.584569 4.375126 -1.067835


%chk=000259107-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259107

0 1
S -0.009904 -2.607392 -0.538782
O -0.014503 -2.938606 -2.147210
O -0.009833 -3.769133 0.619663
N 4.975428 0.740234 0.524302
N -4.975761 0.761686 0.547351
N 6.450616 2.529108 0.066991
N -6.445822 2.556474 0.096795
C 1.503183 -1.525651 -0.219776
C -1.516605 -1.518871 -0.212677
C 2.079124 -0.849218 -1.307063
C -2.061588 -1.498254 1.083980
C 2.053982 -1.507070 1.074461
C -2.094407 -0.839688 -1.297256
C 3.806359 0.010685 0.232900
C -3.811133 0.027224 0.250494
C 3.236020 -0.078198 -1.076785
C -3.212523 -0.720880 1.308530
C 3.209251 -0.734634 1.293748
C -3.246969 -0.063788 -1.061724
C 5.250319 1.870894 -0.088134
C -5.249118 1.893166 -0.064257
C 6.687581 3.841815 -0.542147
C 7.522040 1.961034 0.897857
C -7.515172 1.993508 0.933808
C -6.680369 3.869957 -0.511617
H 1.650106 -0.961905 -2.308658
H -1.611173 -2.101189 1.879401
H 1.604493 -2.107846 1.872036
H -1.670283 -0.954021 -2.300747
H 3.729724 0.420159 -1.919118
H -3.678242 -0.677668 2.297610
H 3.679512 -0.693240 2.280753
H -3.742242 0.436819 -1.901797
H 4.537403 2.401388 -0.748921
H -4.537408 2.420486 -0.728869
H 6.848477 4.618249 0.232029
H 7.581701 3.816432 -1.195017
H 5.819308 4.138078 -1.154689
H 7.763798 2.638541 1.739672
H 7.170203 0.996796 1.294868
H 8.438445 1.803393 0.297061
H -7.749111 2.672376 1.776734
H -8.435614 1.839894 0.338171
H -7.165540 1.027798 1.329184
H -7.578325 3.848252 -1.159323
H -6.833328 4.647506 0.263056
H -5.814303 4.161996 -1.129291


