%chk=000217020.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217020

0 1
S 0.751371 -0.449935 -1.480091
O 1.006904 0.727637 0.877111
N 4.748460 -0.751498 -0.759699
N -1.160202 0.140448 0.304220
C -3.588096 1.440676 -0.520008
C -3.033332 1.622919 0.893461
C -3.218034 0.053060 -1.043156
C 5.557681 -1.996676 -0.542073
C 5.193514 0.346567 0.162180
C 7.043939 -1.703087 -0.808715
C 6.673084 0.675497 -0.095222
C 7.552999 -0.567397 0.087545
C -1.824723 0.993443 1.269527
C -2.028675 -0.572975 -0.607711
C 3.282591 -1.030881 -0.585864
C -5.116812 1.622427 -0.525253
C -2.933459 2.494913 -1.434128
C 2.525276 -0.041397 -1.470403
C -3.661480 2.443833 1.836600
C -4.021242 -0.633170 -1.961411
C -1.266992 1.174876 2.543353
C -1.712301 -1.886326 -0.989136
C 0.224004 0.235432 0.103594
C -3.116381 2.628446 3.111248
C -3.682586 -1.917787 -2.396347
C -1.921344 1.996320 3.463204
C -2.540318 -2.549259 -1.897594
H 5.198878 -2.765087 -1.260745
H 5.432973 -2.416816 0.478924
H 5.041538 0.093859 1.233927
H 4.569052 1.242273 -0.047533
H 7.175910 -1.423049 -1.873317
H 7.638370 -2.620281 -0.648754
H 6.997482 1.484372 0.583735
H 6.788594 1.064635 -1.126675
H 7.547843 -0.885629 1.147012
H 8.604346 -0.330060 -0.157868
H 2.942100 -0.941732 0.471310
H 3.061671 -2.073611 -0.903661
H -5.405758 2.617278 -0.166352
H -5.532912 1.518776 -1.534044
H -5.606146 0.880308 0.116801
H -1.842526 2.382027 -1.458215
H -3.291815 2.406751 -2.465062
H -3.148527 3.511468 -1.088498
H 2.871734 -0.093596 -2.523740
H 2.679354 1.003039 -1.132536
H -4.588396 2.957702 1.577428
H -4.926864 -0.162576 -2.347449
H -0.321241 0.694120 2.803657
H -0.845084 -2.401434 -0.573829
H -3.624214 3.270773 3.828165
H -4.316967 -2.429927 -3.117496
H -1.494097 2.143646 4.454277
H -2.292945 -3.562135 -2.212892


%chk=000217020-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217020

0 1
S 0.709930 -0.558454 -1.814442
O 1.076068 0.738527 0.581972
N 4.758190 -0.759963 -0.784353
N -1.147503 0.121765 0.143649
C -3.490779 1.498987 -0.589153
C -2.926653 1.657568 0.840500
C -3.333845 0.012442 -0.967526
C 5.753285 -1.860319 -0.806336
C 4.943802 0.122424 0.397542
C 7.189418 -1.296437 -0.844704
C 6.351457 0.751056 0.398037
C 7.438982 -0.347231 0.350590
C -1.712170 0.989412 1.163990
C -2.116381 -0.635417 -0.620490
C 3.356433 -1.208031 -0.948921
C -4.955144 1.979668 -0.700840
C -2.620497 2.361560 -1.570154
C 2.553724 -0.136157 -1.711188
C -3.527403 2.459106 1.838328
C -4.323268 -0.746828 -1.633414
C -1.107671 1.129690 2.432158
C -1.909165 -2.005676 -0.897026
C 0.222739 0.176765 -0.150245
C -2.930126 2.613573 3.109710
C -4.108833 -2.106033 -1.954407
C -1.716753 1.953082 3.403036
C -2.900252 -2.736915 -1.583754
H 5.566473 -2.482691 -1.701541
H 5.648061 -2.525255 0.092610
H 4.800116 -0.458487 1.347442
H 4.167978 0.908284 0.384104
H 7.323895 -0.740055 -1.792568
H 7.914511 -2.133349 -0.838402
H 6.472917 1.381277 1.300160
H 6.447979 1.408497 -0.487595
H 7.411151 -0.931259 1.294335
H 8.446381 0.105452 0.281269
H 2.860768 -1.414354 0.028945
H 3.345674 -2.151004 -1.526738
H -5.031834 3.052402 -0.451206
H -5.318658 1.871586 -1.737736
H -5.630054 1.415823 -0.031999
H -1.561482 2.054914 -1.560052
H -2.998391 2.251763 -2.602869
H -2.675201 3.427330 -1.283530
H 2.890604 -0.045236 -2.756280
H 2.620393 0.842407 -1.211621
H -4.468061 2.975573 1.626210
H -5.274602 -0.280143 -1.904371
H -0.173148 0.609363 2.648631
H -0.984893 -2.492997 -0.574546
H -3.410596 3.245059 3.864940
H -4.887045 -2.672517 -2.477291
H -1.248267 2.066896 4.386547
H -2.736054 -3.796246 -1.807603


