%chk=000217444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217444

0 1
S 8.237221 -0.857267 -0.865637
O -5.611996 -0.486374 -0.806434
N 4.478069 0.255422 0.246071
C 0.642400 0.183815 0.183264
C 2.056315 0.614115 0.588817
C -0.425477 1.053561 0.866143
C 3.116521 -0.254606 -0.107241
C -1.807408 0.620636 0.460598
C 5.559593 -0.608279 -0.325419
C -2.398352 1.148012 -0.704889
C -2.513082 -0.313734 1.226880
C 6.898001 0.081551 -0.073713
C -3.671456 0.754244 -1.096187
C -3.797863 -0.727794 0.855759
C -4.362252 -0.186928 -0.303592
C -6.421764 -1.438490 -0.077561
H 0.474931 -0.880089 0.440906
H 0.524138 0.247895 -0.916560
H 2.171572 0.556288 1.687758
H 2.223897 1.679081 0.325886
H -0.265360 2.120753 0.609419
H -0.309848 1.001547 1.967441
H 3.002279 -0.176391 -1.212144
H 2.968810 -1.324535 0.154470
H 4.576899 0.302167 1.266012
H 5.557972 -1.639277 0.090750
H 5.383434 -0.708907 -1.422398
H -1.850275 1.872854 -1.306906
H -2.062251 -0.730036 2.127236
H 7.100066 0.226282 1.001977
H 6.903192 1.097519 -0.526485
H -4.145055 1.150637 -1.991062
H -4.328853 -1.451070 1.463817
H 8.281880 -1.926537 -0.045321
H -6.641591 -1.062163 0.925475
H -5.928842 -2.414270 -0.049041
H -7.331366 -1.475632 -0.691189


%chk=000217444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217444

0 1
S 8.446327 -0.749274 -0.874533
O -5.728743 -0.492105 -0.843074
N 4.528981 0.157344 0.296609
C 0.657099 0.172839 0.187683
C 2.091927 0.591809 0.575959
C -0.430457 1.048199 0.870947
C 3.169843 -0.284779 -0.090773
C -1.842974 0.650868 0.468073
C 5.638933 -0.599133 -0.318880
C -2.434789 1.162402 -0.719389
C -2.594925 -0.272288 1.232558
C 6.970790 0.125571 -0.065010
C -3.721072 0.766629 -1.128997
C -3.890113 -0.685707 0.840481
C -4.453772 -0.162803 -0.348794
C -6.523340 -1.447157 -0.069948
H 0.485900 -0.889077 0.456765
H 0.533953 0.238732 -0.912265
H 2.202940 0.535692 1.680586
H 2.271486 1.647591 0.293972
H -0.243334 2.108676 0.609085
H -0.311299 0.966664 1.969631
H 3.085611 -0.196296 -1.192273
H 2.975573 -1.359468 0.158757
H 4.625930 0.211158 1.320906
H 5.712586 -1.657260 0.041430
H 5.461485 -0.649603 -1.409427
H -1.879708 1.886484 -1.328867
H -2.165943 -0.677883 2.157706
H 7.179168 0.232032 1.014019
H 6.951892 1.129282 -0.518029
H -4.180091 1.162875 -2.040084
H -4.439984 -1.398648 1.462598
H 8.352086 -1.917061 -0.132806
H -6.738159 -1.064883 0.947448
H -6.015641 -2.429021 0.004005
H -7.464064 -1.558402 -0.629168


