%chk=000257115.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257115

0 1
S -0.355198 -0.095971 -0.933728
O 0.628308 -2.991064 -0.048312
O -2.861980 -1.246257 1.805148
N 2.032168 -2.176269 -1.618399
N -2.195226 -2.403564 -0.028511
C 1.076116 -0.609920 0.099561
C -1.834272 0.080462 0.106795
C 0.796247 -0.720027 1.602610
C -2.899241 0.684142 -0.811032
C 2.245505 0.307324 -0.160163
C -4.115356 1.160780 -0.001011
C 1.224377 -2.023843 -0.501202
C -5.234134 1.664653 -0.921957
C 0.553275 0.612843 2.297129
C -2.309605 -1.234143 0.713505
C 3.542219 -0.169221 0.114859
C 2.083727 1.623680 -0.609749
C -6.438799 2.153264 -0.121117
C 4.653668 0.649343 -0.084873
C 3.203244 2.440635 -0.810164
C 4.487615 1.957759 -0.553647
H -1.603427 0.782576 0.960128
H 1.667679 -1.224746 2.080273
H -0.049944 -1.417959 1.790445
H -2.482200 1.540405 -1.381815
H -3.221764 -0.059323 -1.570452
H -4.494113 0.335531 0.639735
H -3.815173 1.960189 0.703205
H -5.548835 0.855250 -1.610289
H -4.856940 2.482599 -1.566258
H 0.446241 0.468728 3.380727
H 1.380318 1.316811 2.140143
H -0.370232 1.103796 1.951644
H 3.683769 -1.182328 0.492080
H 1.092713 2.038714 -0.803429
H -7.240456 2.500450 -0.782263
H -6.854308 1.356286 0.507640
H -6.174760 2.985207 0.541602
H 5.652313 0.270459 0.129208
H 3.066061 3.461416 -1.165776
H 2.076171 -3.073682 -2.078875
H 2.485643 -1.407239 -2.083413
H 5.355456 2.595762 -0.711228
H -1.517841 -2.499970 -0.775364
H -2.398931 -3.276441 0.446790


%chk=000257115-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257115

0 1
S -0.293359 0.232799 -1.234595
O 0.082133 -2.239415 1.059839
O -3.182860 -1.412090 -2.289488
N 1.842065 -2.408612 -0.428921
N -2.127552 -2.771191 -0.720503
C 1.015774 -0.129642 0.172452
C -1.962856 -0.326809 -0.443818
C 0.610754 0.550123 1.510890
C -2.960405 0.843783 -0.478918
C 2.390329 0.374006 -0.300463
C -4.280208 0.519808 0.262917
C 0.955098 -1.673492 0.317365
C -5.267875 1.709119 0.238646
C 0.542733 2.087391 1.453415
C -2.476010 -1.543238 -1.244118
C 3.523478 0.059186 0.503622
C 2.589530 1.170737 -1.455396
C -6.590255 1.402253 0.973888
C 4.810420 0.522937 0.160765
C 3.880795 1.634357 -1.801545
C 4.996201 1.314191 -0.997508
H -1.719632 -0.628450 0.588850
H 1.350603 0.238675 2.276073
H -0.352175 0.129190 1.848947
H -2.486151 1.735850 -0.026461
H -3.187870 1.081525 -1.535188
H -4.760203 -0.359888 -0.208250
H -4.063341 0.245794 1.317097
H -5.482193 1.976868 -0.815615
H -4.785032 2.597506 0.695448
H 0.216473 2.488369 2.429959
H 1.525985 2.529680 1.214310
H -0.175122 2.422633 0.683866
H 3.398450 -0.555741 1.403001
H 1.737914 1.441544 -2.087315
H -7.282905 2.263365 0.938262
H -7.103582 0.535800 0.516320
H -6.406543 1.159616 2.037807
H 5.666251 0.267946 0.795713
H 4.009397 2.248919 -2.699353
H 1.756960 -3.424723 -0.425769
H 2.529143 -1.957825 -1.032477
H 5.994785 1.676001 -1.265805
H -1.492599 -2.844694 0.084958
H -2.426444 -3.607063 -1.222702


