%chk=000180035.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180035

0 1
O -0.126454 -0.163827 0.983142
O -0.384722 0.570273 -1.206835
O 0.306036 2.037436 0.445911
N 1.091613 -3.111163 -0.066269
C 1.878229 0.332626 -0.317200
C 1.224899 -0.616124 0.733784
C -0.544985 0.933267 0.152708
C 0.988010 0.275076 -1.583072
C 1.719232 1.761893 0.252267
C 3.327303 -0.028153 -0.642617
C -1.981026 1.302758 0.468367
C 4.271389 0.024489 0.566710
C -2.947554 0.197816 0.032238
C 1.149110 -2.011600 0.277782
C 5.695734 -0.355588 0.171153
C -4.402950 0.586922 0.339658
C -5.320575 -0.446491 -0.071859
C -6.091171 -1.307319 -0.414224
H 1.723769 -0.563843 1.734209
H 1.257706 1.034868 -2.335818
H 0.942507 -0.724986 -2.048414
H 2.181065 1.894545 1.245068
H 2.072358 2.543829 -0.440988
H 3.707028 0.651302 -1.434070
H 3.364293 -1.044238 -1.091387
H -2.063681 1.495612 1.560287
H -2.216319 2.263795 -0.038698
H 3.915420 -0.660658 1.361766
H 4.269486 1.038784 1.012445
H -2.823976 -0.004743 -1.052990
H -2.687623 -0.753317 0.543274
H 5.748679 -1.373332 -0.234680
H 6.104925 0.321253 -0.587869
H 6.369144 -0.318089 1.036355
H -4.660637 1.543982 -0.171461
H -4.524680 0.785419 1.430322
H -6.750180 -2.045074 -0.707093


%chk=000180035-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180035

0 1
O -0.136699 -0.097908 1.050866
O -0.383964 0.426465 -1.275146
O 0.289233 2.123969 0.265119
N 0.918340 -3.131455 -0.351828
C 1.895343 0.328738 -0.309734
C 1.181028 -0.671415 0.662757
C -0.552522 0.944169 0.074086
C 1.064585 0.358206 -1.619912
C 1.722758 1.721773 0.352883
C 3.371150 -0.036745 -0.595473
C -2.002361 1.309205 0.331608
C 4.341816 0.070799 0.606551
C -2.986466 0.161188 0.024680
C 1.022244 -2.028618 0.090571
C 5.779100 -0.332935 0.213628
C -4.446593 0.598579 0.325651
C -5.436569 -0.458292 0.052102
C -6.262579 -1.345332 -0.177472
H 1.750946 -0.762144 1.606216
H 1.334998 1.240721 -2.230897
H 1.194420 -0.562586 -2.213484
H 2.023487 1.712682 1.417473
H 2.295331 2.495759 -0.187773
H 3.736440 0.626819 -1.406553
H 3.409178 -1.068082 -1.001263
H -2.077361 1.616300 1.390754
H -2.227357 2.195682 -0.289325
H 3.998317 -0.579732 1.435434
H 4.346302 1.106775 0.998739
H -2.897369 -0.137893 -1.033977
H -2.731326 -0.723397 0.634432
H 5.811715 -1.376148 -0.151814
H 6.168952 0.317896 -0.591349
H 6.467284 -0.254458 1.074068
H -4.695009 1.494566 -0.278766
H -4.527247 0.905191 1.388366
H -6.978144 -2.120944 -0.379316


