%chk=000217432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217432

0 1
S 5.085794 -1.647335 -0.050013
O -1.158696 0.765211 0.447736
N 4.066871 0.734167 -0.761434
C 3.163955 1.187201 0.347997
C 5.513235 0.962253 -0.453439
C 1.752938 1.405414 -0.222653
C 3.894357 -0.686954 -1.100965
C 0.809258 1.972011 0.843035
C 6.098050 -0.190751 0.371386
C -0.618499 2.117534 0.321023
C -1.905097 -1.853626 0.728495
C -2.856189 -0.820206 0.161048
C -2.448945 0.532963 0.020680
C -1.633233 -2.960064 -0.299282
C -2.457555 -2.431945 2.037929
C -4.150142 -1.149359 -0.239588
C -3.300089 1.512527 -0.499902
C -5.018406 -0.179168 -0.764276
C -4.592765 1.140889 -0.892206
H 3.133608 0.472630 1.199346
H 3.554286 2.146130 0.752326
H 6.040587 1.045038 -1.432569
H 5.649956 1.937564 0.056291
H 1.339474 0.450905 -0.609118
H 1.806300 2.082709 -1.098250
H 2.868065 -1.062221 -0.929995
H 4.157980 -0.846118 -2.167070
H 1.171693 2.953921 1.203437
H 0.795917 1.301062 1.730312
H 7.154175 -0.389476 0.124050
H 6.038136 -0.007010 1.457291
H -0.667625 2.422503 -0.737473
H -1.227132 2.792213 0.946888
H -0.926945 -1.349524 0.959410
H -0.877256 -3.661728 0.068207
H -2.534392 -3.538275 -0.527607
H -1.267319 -2.538373 -1.242283
H -3.390884 -2.982290 1.881612
H -1.741699 -3.121425 2.497158
H -2.664363 -1.635084 2.761548
H -4.494719 -2.179394 -0.144399
H -2.984586 2.543741 -0.604887
H -6.021781 -0.463694 -1.069203
H -5.264518 1.895436 -1.299193


%chk=000217432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217432

0 1
S 5.043008 -1.617342 0.618615
O -1.100808 0.791130 0.407251
N 4.073020 0.573729 -0.786938
C 3.206706 1.279939 0.202000
C 5.524460 0.823001 -0.618273
C 1.742803 1.376954 -0.269116
C 3.899674 -0.857018 -0.834014
C 0.864987 2.153189 0.737071
C 6.057432 -0.014556 0.597094
C -0.615531 2.180704 0.346144
C -1.887367 -1.928534 0.585031
C -2.860423 -0.826634 0.154509
C -2.446585 0.536300 0.071649
C -1.657615 -2.954711 -0.557215
C -2.371636 -2.639416 1.876965
C -4.202525 -1.123470 -0.179314
C -3.349812 1.553913 -0.325701
C -5.115527 -0.120983 -0.579943
C -4.683610 1.220360 -0.650833
H 3.246714 0.778935 1.198178
H 3.616223 2.300689 0.326053
H 6.043202 0.491278 -1.536460
H 5.712484 1.901714 -0.481956
H 1.312728 0.367154 -0.402979
H 1.719983 1.871133 -1.259899
H 2.865358 -1.175496 -0.649777
H 4.295623 -1.286350 -1.765533
H 1.217379 3.201951 0.818565
H 0.954326 1.702444 1.744937
H 7.123645 -0.263573 0.477210
H 5.903119 0.511448 1.553495
H -0.748166 2.577656 -0.682628
H -1.201466 2.808015 1.049361
H -0.918745 -1.447916 0.808424
H -0.917579 -3.716768 -0.248612
H -2.595315 -3.480366 -0.818360
H -1.283777 -2.457834 -1.470717
H -3.338141 -3.152952 1.716045
H -1.635159 -3.399563 2.198363
H -2.505699 -1.917131 2.702284
H -4.540810 -2.165236 -0.124144
H -3.028813 2.597893 -0.385144
H -6.148217 -0.384319 -0.832170
H -5.377747 2.010643 -0.958116


