%chk=000190651.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190651

0 1
O -3.136574 -1.016026 1.346433
O -4.917408 0.817368 0.609030
N -1.009318 1.826416 0.199572
N 1.860917 -1.650975 -0.160482
C -2.709511 -0.091686 0.333523
C -1.711720 -0.855017 -0.572388
C -1.990310 1.082037 1.043311
C -1.230224 0.084218 -1.692965
C -1.161850 1.563561 -1.257312
C -3.987744 0.397780 -0.421263
C -0.584714 -1.435475 0.266013
C 0.398900 1.700974 0.676838
C 0.747061 -0.828238 0.156526
C 1.178057 0.482642 0.314023
C -4.730219 -0.701262 -1.161310
C 2.609078 0.496570 0.098516
C 3.011317 -0.849845 -0.195759
C -0.793239 -2.479957 1.075515
C 3.587786 1.507350 0.124942
C 4.352841 -1.190927 -0.461547
C 4.905346 1.169922 -0.136130
C 5.282987 -0.167030 -0.426397
H -2.250481 -1.720923 -1.037422
H -2.728727 1.835980 1.396489
H -1.510070 0.672605 1.962330
H -1.902498 -0.005807 -2.566434
H -0.237057 -0.244854 -2.058556
H -0.329516 2.070009 -1.793150
H -2.097614 2.085445 -1.568598
H -3.762705 1.266658 -1.078011
H 0.402354 1.814528 1.788351
H 0.927874 2.604782 0.281854
H -4.027892 -0.743960 1.693438
H -5.780234 -0.410941 -1.317008
H -4.286828 -0.910899 -2.139182
H -4.747890 -1.636543 -0.582630
H 1.821353 -2.639814 -0.312598
H -1.772087 -2.929800 1.204834
H -0.032863 -2.919257 1.702215
H -4.645053 1.683059 0.980334
H 3.303425 2.532908 0.348338
H 4.635903 -2.214060 -0.681625
H 5.677349 1.936239 -0.120685
H 6.332699 -0.380554 -0.623875


%chk=000190651-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190651

0 1
O -3.056040 -0.976819 1.492381
O -5.015286 0.743451 0.839466
N -0.984795 1.801173 0.063177
N 1.918184 -1.629454 -0.092201
C -2.719887 -0.053486 0.395784
C -1.778864 -0.798288 -0.600383
C -1.973346 1.197292 0.976931
C -1.431904 0.130403 -1.804886
C -1.266702 1.628170 -1.369686
C -4.087913 0.354527 -0.266435
C -0.551405 -1.430948 0.086911
C 0.430081 1.790576 0.461610
C 0.782920 -0.793932 0.051930
C 1.233786 0.533207 0.175872
C -4.813549 -0.770536 -1.008327
C 2.682981 0.504159 0.101963
C 3.084618 -0.867603 -0.076423
C -0.687041 -2.661606 0.667793
C 3.685789 1.509535 0.172065
C 4.437791 -1.250115 -0.206246
C 5.037530 1.134044 0.047540
C 5.409794 -0.230596 -0.141541
H -2.361874 -1.656855 -0.978778
H -2.725399 1.964354 1.292340
H -1.464666 0.858949 1.896284
H -2.232856 0.062101 -2.566692
H -0.504246 -0.234350 -2.280052
H -0.448762 2.101130 -1.941228
H -2.190213 2.191667 -1.619877
H -3.944274 1.226941 -0.933149
H 0.474658 2.022749 1.545206
H 0.934576 2.641081 -0.043154
H -3.930867 -0.650262 1.849698
H -5.833106 -0.438468 -1.266584
H -4.290454 -1.037794 -1.942669
H -4.888060 -1.670487 -0.373385
H 1.851396 -2.624060 -0.300646
H -1.652535 -3.174636 0.672733
H 0.130300 -3.136944 1.222837
H -4.738121 1.626054 1.199056
H 3.417895 2.561742 0.320966
H 4.729193 -2.297271 -0.345292
H 5.821165 1.898384 0.096776
H 6.470411 -0.489978 -0.234589


