%chk=000255747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255747

0 1
S 1.608375 -1.625431 0.006378
O -4.207073 -2.043624 0.016776
O -4.526069 2.566190 0.000750
N -1.132128 -1.660366 0.010684
N -2.396966 1.694235 0.000883
N -4.370076 0.255724 0.008899
N -0.219097 0.448080 0.002017
C 5.145920 0.436314 -0.003721
C 4.126833 -0.715024 0.000956
C -2.201814 -0.744253 0.009122
C -1.603500 0.549703 0.003720
C 6.584835 -0.095650 -0.003713
C 2.707204 -0.167573 0.000810
C 0.026567 -0.909380 0.006324
C 7.605610 1.051192 -0.009043
C -3.625082 -0.975279 0.012129
C -3.822218 1.574000 0.003381
C -1.273261 -3.116337 0.015934
C -1.770797 3.038294 -0.004561
C 9.040170 0.528503 -0.009192
C -5.857704 0.182018 0.011800
H 4.982877 1.081418 -0.889182
H 4.984894 1.086804 0.878168
H 4.299817 -1.363185 -0.883563
H 4.301745 -1.357686 0.889103
H 6.749248 -0.746389 -0.884285
H 6.751503 -0.740172 0.881005
H 2.498280 0.465709 0.885912
H 2.496379 0.460332 -0.887667
H 7.445723 1.702472 0.872695
H 7.443328 1.696422 -0.894777
H -0.804495 -3.557818 0.915429
H -2.351779 -3.399445 0.018927
H -0.807860 -3.563947 -0.882287
H -2.552494 3.822399 -0.009092
H -1.136281 3.159891 -0.900409
H -1.138427 3.168179 0.891631
H 9.245510 -0.090184 -0.890266
H 9.248218 -0.083206 0.876108
H 9.761785 1.353416 -0.013568
H -6.182393 -0.875790 0.011393
H -6.269040 0.683300 -0.881387
H -6.265470 0.681344 0.907681


%chk=000255747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255747

0 1
S 1.549856 -1.890692 0.006745
O -4.356999 -2.022273 0.015272
O -4.398583 2.698476 0.004255
N -1.235715 -1.761286 0.009872
N -2.300955 1.642582 0.003038
N -4.343819 0.354416 0.009349
N -0.225799 0.297934 0.003278
C 5.108756 0.396473 -0.007184
C 4.147159 -0.817430 0.001997
C -2.264031 -0.794835 0.008901
C -1.604956 0.443991 0.004882
C 6.597060 -0.021352 -0.001536
C 2.679936 -0.360606 -0.002350
C -0.042056 -1.054657 0.006465
C 7.564223 1.185330 -0.012836
C -3.692581 -0.935327 0.011417
C -3.717980 1.631934 0.005437
C -1.403018 -3.224013 0.013613
C -1.581593 2.929856 -0.000744
C 9.049472 0.763394 -0.006698
C -5.824920 0.374871 0.011840
H 4.906645 1.020878 -0.901882
H 4.904244 1.036369 0.875948
H 4.349497 -1.451663 -0.883698
H 4.348337 -1.437536 0.897879
H 6.803632 -0.662848 -0.883504
H 6.801916 -0.644967 0.893541
H 2.421582 0.233499 0.888323
H 2.423198 0.221594 -0.901333
H 7.356076 1.826392 0.867975
H 7.358204 1.807876 -0.907327
H -0.934146 -3.659971 0.913151
H -2.481937 -3.441928 0.015874
H -0.937084 -3.664232 -0.885383
H -2.335735 3.730221 -0.003448
H -0.942764 3.004656 -0.896733
H -0.943411 3.010507 0.895238
H 9.289516 0.145468 -0.892777
H 9.287781 0.165027 0.893152
H 9.720205 1.642139 -0.015655
H -6.165861 -0.670644 0.011951
H -6.197644 0.904391 -0.880151
H -6.194910 0.903182 0.905749


