%chk=000198840.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198840

0 1
S -5.093915 3.039876 0.805041
O -0.695648 -4.654418 -1.154852
N -0.206973 -2.198956 0.222694
N 2.492417 -0.041217 0.298457
N 1.535370 1.964367 -0.293180
N 3.986082 1.685353 -0.645079
C 0.489279 -1.327492 1.232062
C 0.723484 -2.680334 -0.848916
C -0.839875 -3.368207 0.921499
C 1.116732 -0.139963 0.597338
C -0.070341 -3.549057 -1.838217
C -1.594082 -4.212903 -0.118125
C 0.559992 1.097241 0.219467
C 2.713563 1.303259 -0.260420
C -0.832050 1.537179 0.331790
C 3.549831 -0.931931 0.444635
C -1.112860 2.859510 0.728498
C -1.886546 0.660066 0.036650
C 4.795046 -0.512192 0.049686
C 4.969938 0.810844 -0.492773
C -2.433325 3.288828 0.850846
C -3.212167 1.088156 0.161137
C -3.475828 2.395024 0.570144
C -6.213450 1.874586 0.002136
H 1.232807 -1.881365 1.849718
H -0.302118 -0.967004 1.940791
H 1.584867 -3.256166 -0.451161
H 1.127644 -1.792036 -1.383511
H -1.555352 -2.979972 1.677888
H -0.103390 -4.005494 1.456479
H -0.846227 -2.964626 -2.364214
H 0.585167 -4.058773 -2.565714
H -1.959255 -5.165579 0.303840
H -2.426755 -3.650665 -0.576721
H 3.348382 -1.921122 0.864718
H -0.289246 3.549556 0.927436
H -1.673428 -0.359816 -0.300014
H 5.660590 -1.165339 0.139940
H 5.973518 1.135530 -0.805618
H -2.642256 4.315225 1.155146
H -4.016723 0.392270 -0.065611
H -5.950027 1.704845 -1.048179
H -7.218711 2.319062 0.030990
H -6.252661 0.911949 0.522779


%chk=000198840-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198840

0 1
S -5.164373 3.239794 0.441388
O -0.755389 -4.705578 -1.297022
N -0.196772 -2.253987 0.145409
N 2.510476 -0.045451 0.360032
N 1.615892 2.014510 -0.155644
N 4.040280 1.753357 -0.351376
C 0.484553 -1.379217 1.143119
C 0.712851 -2.740123 -0.923920
C -0.890447 -3.392552 0.804502
C 1.130053 -0.156728 0.556717
C -0.081139 -3.567834 -1.946275
C -1.658959 -4.210847 -0.246519
C 0.605300 1.124222 0.222216
C 2.775765 1.329056 -0.080568
C -0.795689 1.569868 0.257117
C 3.558407 -0.936574 0.502971
C -1.076041 2.963739 0.343767
C -1.887703 0.662337 0.193379
C 4.847230 -0.489946 0.225980
C 5.046047 0.865149 -0.200513
C -2.398588 3.431470 0.397137
C -3.218313 1.129280 0.247054
C -3.484822 2.514937 0.357983
C -6.269375 1.726433 0.366086
H 1.246035 -1.957327 1.728917
H -0.286672 -1.053822 1.867302
H 1.533744 -3.375983 -0.502182
H 1.169543 -1.869878 -1.429972
H -1.598650 -2.994902 1.557086
H -0.166673 -4.062909 1.333458
H -0.833147 -2.919284 -2.444406
H 0.585762 -4.012503 -2.702664
H -2.111890 -5.109905 0.202677
H -2.453082 -3.579414 -0.700679
H 3.327208 -1.953894 0.827304
H -0.235432 3.664147 0.363298
H -1.692640 -0.407923 0.047411
H 5.693857 -1.171646 0.330243
H 6.052921 1.232118 -0.424538
H -2.592962 4.507634 0.468546
H -4.035742 0.403913 0.183181
H -6.132625 1.188905 -0.585280
H -7.298046 2.114313 0.423833
H -6.079251 1.061142 1.222946


