%chk=000261071.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261071

0 1
O -0.841258 1.731222 -0.003351
O -2.634388 -2.560589 0.001386
N 3.768841 -1.092176 -0.015146
N -2.105419 -0.260508 0.001907
C 1.588803 -0.294313 -0.004950
C 2.423015 -1.498173 -0.015470
C 0.228362 -0.472829 -0.004618
C 2.485199 0.843681 0.002720
C 3.826891 0.328136 -0.003514
C -0.317842 -1.782763 -0.012190
C -0.890729 0.528661 -0.000778
C 1.876782 -2.783280 -0.024456
C 0.479273 -2.920621 -0.022519
C -1.804930 -1.691152 -0.003886
C 2.268464 2.222627 0.014810
C 4.919105 -2.002622 -0.022685
C 4.935974 1.181295 0.001789
C -3.437451 0.294169 0.007402
C 3.376830 3.069388 0.020083
C 4.686171 2.553891 0.013591
C -4.514271 -0.478015 0.480067
C -3.653122 1.603520 -0.459627
C -5.799396 0.066633 0.478587
C -4.945763 2.130331 -0.447413
C -6.021518 1.368273 0.018361
H 2.513941 -3.663389 -0.032640
H 0.021785 -3.912441 -0.029021
H 1.245112 2.614266 0.020215
H 4.902687 -2.648572 -0.920302
H 5.867855 -1.437685 -0.029277
H 4.914791 -2.648602 0.875072
H 5.949822 0.796074 -0.002873
H 3.229476 4.148371 0.029666
H 5.527988 3.247931 0.018070
H -4.358190 -1.499544 0.833774
H -2.821923 2.214113 -0.818272
H -6.634484 -0.532326 0.841178
H -5.112910 3.145679 -0.806016
H -7.025574 1.785438 0.022626


%chk=000261071-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261071

0 1
O -0.861392 1.774190 0.045802
O -2.653144 -2.607830 -0.111221
N 3.770220 -1.084960 -0.029140
N -2.123869 -0.262840 -0.023266
C 1.602985 -0.268094 -0.008704
C 2.424429 -1.464784 -0.047960
C 0.210754 -0.459934 -0.022639
C 2.511195 0.866089 0.036797
C 3.845804 0.326902 0.022880
C -0.329381 -1.768221 -0.069277
C -0.916324 0.517760 0.003899
C 1.883504 -2.771331 -0.096849
C 0.478399 -2.923121 -0.107105
C -1.811832 -1.677168 -0.070424
C 2.317626 2.267999 0.089382
C 4.896126 -2.018296 -0.057318
C 4.981377 1.161773 0.058878
C -3.454971 0.281613 -0.006374
C 3.451381 3.104850 0.125490
C 4.764304 2.556553 0.109983
C -4.487273 -0.398342 0.688259
C -3.733586 1.496156 -0.682646
C -5.792627 0.136615 0.696276
C -5.040721 2.026180 -0.654948
C -6.076530 1.350439 0.029682
H 2.535905 -3.649405 -0.125572
H 0.014836 -3.913538 -0.143662
H 1.300588 2.671099 0.101980
H 4.875330 -2.635871 -0.974320
H 5.841257 -1.455723 -0.042923
H 4.878240 -2.687767 0.822665
H 6.000049 0.761129 0.049050
H 3.323218 4.191381 0.166631
H 5.628468 3.229737 0.138970
H -4.274116 -1.338693 1.201030
H -2.936011 2.024348 -1.209498
H -6.586983 -0.396374 1.230058
H -5.248485 2.967624 -1.175063
H -7.090750 1.763956 0.043498


