%chk=000271384.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271384

0 1
O -0.347835 -2.711403 -1.601448
O 0.375900 -2.899008 0.650719
O -1.622176 3.414598 1.248554
O 3.928845 -1.401679 1.433801
O 3.468285 -2.112370 -0.555661
N -2.324748 2.498587 -0.728394
N 3.366764 -1.301634 0.358255
C -3.918779 0.583033 -0.469281
C -2.773213 -0.327486 -0.118938
C -3.627502 2.061923 -0.164148
C -2.152775 -1.067714 -1.162352
C -1.116525 -1.891483 -0.790109
C -0.680461 -2.001412 0.565033
C -2.340676 -0.436863 1.203496
C 0.003550 3.288083 -0.529089
C -1.273418 -1.285642 1.579367
C -1.363268 3.066363 0.110616
C 0.877598 2.089647 -0.307690
C 0.595816 -3.399943 -0.709868
C 1.341458 1.802269 0.988444
C 1.227724 1.256055 -1.382627
C 2.159372 0.698173 1.211626
C 2.037874 0.142294 -1.168002
C 2.505633 -0.127064 0.128124
H -4.824692 0.270960 0.096172
H -4.200075 0.467000 -1.536422
H -4.427177 2.704789 -0.598475
H -3.632701 2.247834 0.938894
H -2.486358 -0.997157 -2.191974
H -2.828705 0.148748 1.983487
H -2.051539 2.055265 -1.601045
H 0.461070 4.189489 -0.053470
H -0.080761 3.554453 -1.601737
H -0.948274 -1.364467 2.613126
H 1.617340 -3.117357 -1.014669
H 0.349703 -4.469332 -0.720449
H 1.045034 2.443167 1.824093
H 0.867684 1.471575 -2.387904
H 2.532066 0.465035 2.215305
H 2.310444 -0.521827 -1.995463


%chk=000271384-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271384

0 1
O -0.323115 -2.796549 -1.574855
O 0.482851 -2.850252 0.686501
O -1.525834 3.209547 1.397522
O 3.940027 -1.432701 1.490587
O 3.522776 -2.152548 -0.631589
N -2.415082 2.588204 -0.668727
N 3.378748 -1.301428 0.337329
C -3.939967 0.597245 -0.506093
C -2.788420 -0.330757 -0.129211
C -3.690609 2.085811 -0.133696
C -2.176724 -1.139857 -1.132936
C -1.108801 -1.954711 -0.748962
C -0.637665 -1.989989 0.579653
C -2.307097 -0.381371 1.204482
C -0.050524 3.304679 -0.568001
C -1.220719 -1.213891 1.583841
C -1.396852 3.046732 0.147108
C 0.887143 2.124475 -0.348889
C 0.597450 -3.512401 -0.642654
C 1.430055 1.876425 0.940951
C 1.192141 1.230609 -1.407999
C 2.254845 0.761065 1.172598
C 2.008378 0.103966 -1.194280
C 2.527649 -0.117370 0.099638
H -4.877149 0.288323 -0.000798
H -4.136823 0.519830 -1.593575
H -4.532680 2.703594 -0.502230
H -3.633264 2.219690 0.959868
H -2.528705 -1.124893 -2.169051
H -2.769231 0.251808 1.969461
H -2.220952 2.446960 -1.661781
H 0.371967 4.221543 -0.121811
H -0.198823 3.485882 -1.647806
H -0.847909 -1.237916 2.610729
H 1.633799 -3.403314 -0.998861
H 0.264762 -4.562616 -0.551017
H 1.176999 2.552202 1.764238
H 0.785140 1.413572 -2.409146
H 2.678377 0.552610 2.158567
H 2.244340 -0.596709 -1.999209


