%chk=000233341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233341

0 1
S -3.962229 -1.772945 -0.047843
N -1.526422 -0.849707 -0.672802
N 1.313100 -0.511771 -0.215778
C -0.708045 -1.939637 -0.046629
C -0.674452 -0.062716 -1.626876
C 0.470758 -1.314320 0.724395
C 0.501646 0.568882 -0.855061
C -2.732751 -1.383953 -1.344852
C 2.643166 -0.201643 0.179865
C 3.345112 0.859797 -0.433063
C 3.323151 -1.026121 1.108888
C -4.181665 -0.206922 0.849228
C -5.241347 0.645331 0.167061
C 4.694158 1.082928 -0.133488
C 4.664745 -0.788810 1.395049
C -5.489399 1.947377 0.946448
C 5.359904 0.259385 0.786830
C 5.418195 2.207235 -0.804855
C -6.551227 2.812356 0.271958
H -0.325508 -2.671856 -0.790844
H -1.352611 -2.499430 0.668401
H -1.294063 0.747158 -2.067820
H -0.283435 -0.680054 -2.465078
H 0.088437 -0.688049 1.561502
H 1.085597 -2.128702 1.171765
H 1.139393 1.141592 -1.566845
H 0.116730 1.289054 -0.098394
H -2.587291 -2.325879 -1.915571
H -3.157994 -0.629076 -2.038241
H 2.846977 1.501237 -1.155633
H 2.809064 -1.854851 1.588949
H -3.208899 0.321949 0.918869
H -4.474318 -0.476640 1.882357
H -4.935888 0.886749 -0.870291
H -6.191705 0.081241 0.072570
H 5.180825 -1.432263 2.108406
H -5.802502 1.712216 1.982576
H -4.544302 2.517743 1.037439
H 6.404116 0.430880 1.024145
H 4.897400 3.163628 -0.659856
H 6.441135 2.336733 -0.428959
H 5.491606 2.035763 -1.888360
H -6.724668 3.736710 0.834467
H -7.511563 2.288796 0.198342
H -6.255730 3.097206 -0.744171


%chk=000233341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233341

0 1
S -4.104376 -1.978897 0.235945
N -1.571846 -1.152647 -0.679895
N 1.221413 -0.608027 -0.214402
C -0.727357 -2.143585 0.021237
C -0.783638 -0.373978 -1.660642
C 0.433170 -1.432902 0.733464
C 0.385933 0.348340 -0.964251
C -2.844448 -1.668626 -1.167213
C 2.566069 -0.269500 0.095598
C 3.105740 1.014471 -0.209282
C 3.438003 -1.232398 0.691543
C -4.168004 -0.228009 0.955948
C -5.099559 0.726339 0.190059
C 4.463225 1.335702 0.041782
C 4.781010 -0.909788 0.956472
C -5.123115 2.145174 0.811063
C 5.305152 0.364689 0.634103
C 4.996537 2.712094 -0.324531
C -6.057269 3.109898 0.048479
H -0.317505 -2.901419 -0.691906
H -1.356000 -2.666016 0.765045
H -1.440744 0.379051 -2.134679
H -0.367497 -1.028419 -2.466219
H 0.012775 -0.790408 1.541367
H 1.082007 -2.185198 1.206714
H 1.000021 0.832440 -1.743219
H -0.024327 1.143831 -0.297686
H -2.783531 -2.662856 -1.664147
H -3.284570 -0.945136 -1.873881
H 2.462331 1.795699 -0.627660
H 3.078258 -2.240963 0.918054
H -3.121059 0.128169 0.955864
H -4.496685 -0.361211 2.001846
H -4.774082 0.796949 -0.867786
H -6.125866 0.310200 0.174426
H 5.432045 -1.667193 1.408893
H -5.446448 2.074974 1.869616
H -4.093447 2.557145 0.826232
H 6.354783 0.600904 0.842143
H 4.315566 3.514643 0.014535
H 5.986632 2.893887 0.128075
H 5.106380 2.819368 -1.421170
H -6.061384 4.115800 0.507095
H -7.097756 2.734321 0.046742
H -5.739335 3.219692 -1.005571


