%chk=000231659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231659

0 1
O -2.655191 1.549329 -0.557480
O 2.660849 -1.565056 0.528324
N -1.146252 0.414220 0.793872
N 1.152097 -0.430301 -0.823616
N -3.437636 -0.299400 0.609246
N 3.443565 0.283048 -0.639198
C -0.117875 1.423789 0.363036
C 0.123700 -1.439845 -0.392749
C -0.599698 -0.965981 0.897963
C 0.605582 0.949928 -0.927651
C 0.847315 1.685128 1.516736
C -0.841546 -1.701127 -1.546419
C -2.439380 0.606496 0.189853
C 2.445183 -0.622523 -0.219425
C -4.815587 -0.247981 0.221361
C 4.821464 0.231729 -0.251122
C -5.673279 -1.210659 0.796182
C 5.679404 1.193716 -0.826730
C -5.313252 0.690690 -0.697880
C 5.318845 -0.706181 0.669050
C -7.021498 -1.223040 0.437773
C 7.027566 1.206228 -0.468112
C -6.665690 0.657712 -1.040276
C 6.671232 -0.673088 1.011635
C -7.523378 -0.294009 -0.479313
C 7.529151 0.277993 0.449942
H -0.662265 2.382730 0.120848
H 0.668073 -2.398805 -0.150603
H -1.392984 -1.688278 1.175991
H 0.128186 -0.968341 1.746966
H -0.122263 0.952336 -1.776687
H 1.398901 1.672209 -1.205606
H 1.456161 0.810160 1.776737
H 1.535058 2.504604 1.279028
H 0.300656 1.968574 2.427651
H -1.529600 -2.520289 -1.308542
H -1.450071 -0.825993 -1.806636
H -0.294957 -1.984975 -2.457248
H -3.198407 -0.992656 1.323330
H 3.204439 0.976039 -1.353567
H -5.299478 -1.937384 1.511666
H 5.305839 1.919796 -1.542994
H -4.651494 1.444910 -1.137272
H 4.656915 -1.459935 1.108980
H -7.687294 -1.964496 0.879040
H 7.693552 1.947151 -0.909986
H -7.053868 1.385744 -1.753198
H 7.059188 -1.400528 1.725282
H -8.575217 -0.310472 -0.753121
H 8.580939 0.294581 0.723939


%chk=000231659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231659

0 1
O -2.988104 1.866741 -0.540776
O 2.994393 -1.883846 0.511211
N -1.356032 0.368347 0.199712
N 1.361967 -0.385647 -0.228947
N -3.660218 -0.205178 0.346992
N 3.665753 0.188567 -0.376297
C -0.326008 1.433769 0.076899
C 0.332004 -1.451132 -0.106149
C -0.864808 -0.920025 0.727058
C 0.870744 0.902646 -0.756380
C 0.113886 1.967978 1.460068
C -0.107816 -1.985375 -1.489328
C -2.694599 0.739472 -0.028754
C 2.700574 -0.756517 -0.000511
C -5.068863 -0.141857 0.142582
C 5.074514 0.126059 -0.172226
C -5.836913 -1.235387 0.631263
C 5.841673 1.220171 -0.661002
C -5.724938 0.934806 -0.512416
C 5.731559 -0.950199 0.482493
C -7.236434 -1.256101 0.468297
C 7.241225 1.241867 -0.498431
C -7.127580 0.896418 -0.669444
C 7.134220 -0.910822 0.639131
C -7.894160 -0.188430 -0.186020
C 7.899899 0.174607 0.155594
H -0.809522 2.248014 -0.490326
H 0.815531 -2.265344 0.461110
H -1.651658 -1.691307 0.679049
H -0.553477 -0.814622 1.786114
H 0.559359 0.797168 -1.815413
H 1.657690 1.673857 -0.708454
H 0.672938 1.209777 2.037017
H 0.769014 2.849992 1.337867
H -0.768309 2.280930 2.044519
H -0.762922 -2.867406 -1.367141
H -0.666863 -1.227200 -2.066317
H 0.774415 -2.298311 -2.073733
H -3.346615 -1.029298 0.859317
H 3.351590 1.012624 -0.888399
H -5.336542 -2.071176 1.139273
H 5.340571 2.055661 -1.168782
H -5.134236 1.776816 -0.875988
H 5.141582 -1.792666 0.846148
H -7.811224 -2.106450 0.851970
H 7.815299 2.092664 -0.882184
H -7.624684 1.731751 -1.175853
H 7.632061 -1.745850 1.145320
H -8.981635 -0.202697 -0.314042
H 8.987400 0.189637 0.283309


