%chk=000234979.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000234979

0 1
S 0.080457 -1.164589 -2.598090
P 0.180702 -0.055010 -1.070193
O -0.460034 1.436268 -1.446066
N -0.717702 -0.558343 0.360303
N 1.768686 0.286204 -0.416843
C -2.105899 -0.895576 0.248645
C 2.588371 -0.862837 -0.117461
C -0.234940 2.489266 -0.552222
C -2.608864 -1.930273 1.065901
C 2.879127 -1.180201 1.223513
C -2.976920 -0.168545 -0.585750
C 3.138153 -1.621328 -1.165843
C -1.075000 2.666676 0.552918
C 0.779720 3.398402 -0.882637
C -3.972182 -2.224747 1.044163
C 3.711871 -2.264664 1.506434
C -4.335749 -0.487283 -0.596360
C 3.958576 -2.709204 -0.860509
C -4.840836 -1.507945 0.215458
C 4.246513 -3.034987 0.469238
C -0.882743 3.799185 1.349201
C 0.948687 4.522409 -0.072042
C 0.124204 4.721065 1.042269
H -0.210503 -1.143800 1.052838
H 1.836212 1.030230 0.307986
H -1.943585 -2.502453 1.706343
H 2.473632 -0.583980 2.036627
H -2.617727 0.637179 -1.230354
H 2.936130 -1.363737 -2.208701
H -1.862997 1.946866 0.778458
H 1.401004 3.228912 -1.761739
H -4.359728 -3.024025 1.675610
H 3.943489 -2.511158 2.542228
H -5.009039 0.070168 -1.248616
H 4.380891 -3.305426 -1.670275
H -5.901066 -1.745905 0.197935
H 4.888478 -3.884044 0.695042
H -1.527153 3.964131 2.212971
H 1.725459 5.248786 -0.311544
H 0.263508 5.600418 1.668864


%chk=000234979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000234979

0 1
S 0.020050 -0.802315 -3.184373
P 0.235011 0.080861 -1.349023
O -0.017440 1.847043 -1.522931
N -0.741669 -0.511134 -0.038312
N 1.772127 0.139422 -0.518484
C -2.114140 -0.879865 -0.045051
C 2.615951 -0.960659 -0.201105
C -0.082047 2.715802 -0.396871
C -2.624762 -1.605072 1.065119
C 3.896992 -0.696018 0.355162
C -2.981814 -0.522584 -1.110829
C 2.208190 -2.305709 -0.408583
C -1.188795 2.692181 0.483905
C 0.961108 3.658337 -0.235127
C -3.988074 -1.962806 1.108372
C 4.749532 -1.762418 0.707575
C -4.340310 -0.901533 -1.060277
C 3.074059 -3.361951 -0.053034
C -4.854576 -1.617560 0.044996
C 4.345320 -3.103102 0.508549
C -1.235228 3.619499 1.548928
C 0.895166 4.586514 0.828350
C -0.196729 4.563731 1.727844
H -0.241265 -0.585806 0.852661
H 2.190678 1.071750 -0.452117
H -1.954319 -1.890619 1.885329
H 4.220559 0.340696 0.512083
H -2.599291 0.032054 -1.973573
H 1.238014 -2.526216 -0.866402
H -2.002820 1.978888 0.322104
H 1.780706 3.679864 -0.962185
H -4.370825 -2.519094 1.971314
H 5.733964 -1.543017 1.136059
H -5.000713 -0.627591 -1.890449
H 2.750955 -4.394801 -0.224814
H -5.911391 -1.901852 0.077690
H 5.010864 -3.928941 0.779658
H -2.091113 3.610102 2.232739
H 1.692779 5.327672 0.949889
H -0.243501 5.282350 2.552917


