%chk=000208928.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208928

0 1
O -4.247047 2.066882 -0.115864
O -8.013107 -0.268083 -1.435331
N 1.749706 -0.927057 0.569580
N 4.611899 -0.570076 0.971677
N -4.486984 -0.155060 0.509349
N 6.156205 -0.764138 -0.850943
N 5.742021 1.403519 0.215988
N -5.168757 -1.311840 0.498350
N -6.166619 0.955432 -0.821164
C 2.316617 0.431298 0.862405
C 2.737369 -1.750224 -0.205346
C 0.449321 -0.821403 -0.171442
C 3.613006 0.279996 1.683316
C 4.034309 -1.899015 0.616245
C -0.666876 -0.502706 0.839525
C -2.037024 -0.492906 0.154234
C -3.140525 -0.176895 1.172168
C 5.490638 0.042414 0.067894
C -4.915973 1.057362 -0.157158
C 6.727387 1.934248 -0.543733
C 7.132380 -0.184066 -1.586247
C 7.464718 1.174133 -1.465002
C -6.954994 -0.248108 -0.853049
C -6.320123 -1.368567 -0.118720
C -6.660430 2.166812 -1.527739
H 1.568689 0.996717 1.460021
H 2.516937 1.029305 -0.053188
H 2.971572 -1.328256 -1.206511
H 2.295204 -2.756943 -0.369378
H 0.467856 -0.061164 -0.981294
H 0.233164 -1.797131 -0.659916
H 4.044304 1.280470 1.915147
H 3.399819 -0.219414 2.656769
H 3.825895 -2.426995 1.575748
H 4.777705 -2.512942 0.058426
H -0.471750 0.473842 1.324983
H -0.641857 -1.252963 1.656726
H -2.050185 0.257765 -0.662716
H -2.233340 -1.472273 -0.326745
H -3.157571 -0.932102 1.991326
H -2.980560 0.826610 1.634447
H 6.915579 3.006700 -0.403150
H 7.651213 -0.840905 -2.296619
H -6.881092 -2.314586 -0.103417
H 8.252713 1.617890 -2.060474
H -7.756110 2.098164 -1.667387
H -6.186628 2.255536 -2.520326
H -6.428574 3.077223 -0.946666


%chk=000208928-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208928

0 1
O -4.536240 2.100270 -0.352029
O -8.355835 -0.591544 -0.952684
N 1.690224 -0.808699 0.268627
N 4.532055 -0.420197 0.457721
N -4.616227 -0.055455 0.578288
N 6.538892 -0.853645 -0.711390
N 6.168457 1.283270 0.443633
N -5.238396 -1.265683 0.791585
N -6.466967 0.795576 -0.664260
C 2.253564 0.535811 0.558980
C 2.624398 -1.583904 -0.590830
C 0.323510 -0.758915 -0.307191
C 3.620107 0.413331 1.262096
C 3.993416 -1.744574 0.098192
C -0.749609 -0.304278 0.704105
C -2.171864 -0.410995 0.110189
C -3.239960 0.064777 1.117022
C 5.775589 0.013543 0.053085
C -5.164688 1.024582 -0.163515
C 7.401492 1.683098 0.039618
C 7.763722 -0.405034 -1.088832
C 8.261915 0.872302 -0.738353
C -7.195134 -0.423722 -0.483453
C -6.454515 -1.432907 0.290417
C -7.087719 1.899118 -1.430030
H 1.564832 1.084287 1.225054
H 2.376193 1.136578 -0.379162
H 2.775486 -1.092131 -1.585887
H 2.190730 -2.585619 -0.768609
H 0.278962 -0.099943 -1.214136
H 0.072200 -1.783458 -0.645682
H 4.086620 1.400016 1.401400
H 3.472902 -0.063886 2.252190
H 3.863734 -2.345134 1.021346
H 4.717514 -2.246058 -0.561220
H -0.567710 0.743216 1.015936
H -0.662163 -0.933705 1.611104
H -2.242840 0.203602 -0.808382
H -2.385596 -1.460690 -0.172797
H -3.209058 -0.542847 2.036626
H -3.077091 1.125426 1.371051
H 7.701018 2.689840 0.354631
H 8.358247 -1.100393 -1.693403
H -6.936472 -2.395368 0.474541
H 9.251121 1.212898 -1.050978
H -8.082458 1.557546 -1.750778
H -6.463766 2.149660 -2.303464
H -7.172495 2.796536 -0.795575


