%chk=000213044.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213044

0 1
O 1.911507 3.749415 0.197834
O 2.130877 1.006793 -0.270987
N -1.129084 1.915072 1.157593
C -1.927224 0.759816 0.630794
C -3.627758 -0.077331 -1.043948
C -1.792330 -1.607429 -0.235411
C -3.660694 -0.945449 1.322949
C -2.812730 1.150712 -0.587177
C -0.969338 -0.389439 0.229805
C -2.846065 0.279799 1.788821
C -2.663748 -1.213900 -1.447841
C -4.534355 -0.554465 0.111277
C -2.700553 -2.084909 0.918804
C -0.199366 2.553680 0.186757
C 1.141003 2.785789 0.921986
C 1.943280 1.486041 1.096747
C 2.796326 -0.184490 -0.455707
C 3.315800 -0.989539 0.564557
C 2.909767 -0.536464 -1.817309
C 3.965016 -2.176430 0.203773
C 3.560627 -1.721925 -2.142253
C 4.089520 -2.545562 -1.136479
H -4.257347 0.203411 -1.917622
H -1.099539 -2.428239 -0.527247
H -4.313744 -1.288577 2.156255
H -2.187624 1.516465 -1.418844
H -3.489829 1.979159 -0.321995
H -0.330306 -0.661675 1.089057
H -0.273846 -0.061661 -0.565796
H -3.525552 1.085997 2.112028
H -2.232707 0.021351 2.670888
H -3.233300 -2.087697 -1.808261
H -2.024645 -0.893564 -2.288629
H -5.246749 0.239744 0.392587
H -5.144124 -1.415363 -0.213005
H -3.273281 -2.976538 0.611250
H -2.088053 -2.393697 1.783476
H -1.747713 2.626943 1.558678
H -0.022046 1.907838 -0.703899
H -0.570386 3.526275 -0.198920
H 0.988395 3.280305 1.910575
H 1.371315 0.734430 1.670347
H 2.935397 1.668483 1.540993
H 2.254024 3.357463 -0.637133
H 3.227578 -0.715995 1.609582
H 2.493669 0.116693 -2.578652
H 4.376936 -2.816502 0.984255
H 3.661001 -2.013700 -3.187816
H 4.595900 -3.468931 -1.404240


%chk=000213044-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213044

0 1
O 1.845108 3.622365 -0.242662
O 2.532276 0.957478 -0.425214
N -0.957226 1.445992 1.021380
C -2.053066 0.537767 0.568376
C -4.211927 0.235389 -0.776839
C -2.605838 -1.709257 -0.508566
C -3.961806 -0.902806 1.475406
C -3.072278 1.222409 -0.398178
C -1.466504 -0.721013 -0.130971
C -2.817434 0.079392 1.841832
C -3.601612 -1.010335 -1.474657
C -4.959631 -0.205385 0.511213
C -3.357676 -2.150865 0.776645
C -0.172466 2.182162 0.005049
C 1.177029 2.634608 0.615904
C 2.109877 1.451702 0.904820
C 3.443926 -0.109980 -0.485046
C 3.952814 -0.784210 0.652826
C 3.847631 -0.496386 -1.787902
C 4.870502 -1.846398 0.472567
C 4.762466 -1.555737 -1.949638
C 5.281197 -2.238133 -0.820644
H -4.920649 0.737822 -1.464848
H -2.165966 -2.596230 -1.005575
H -4.488603 -1.210619 2.400097
H -2.549387 1.563975 -1.314497
H -3.495925 2.123184 0.094232
H -0.741717 -1.201426 0.555210
H -0.908083 -0.430564 -1.042919
H -3.236623 0.968883 2.360169
H -2.100665 -0.400654 2.536718
H -4.406731 -1.715063 -1.765365
H -3.079603 -0.706710 -2.404598
H -5.414929 0.676946 1.005721
H -5.785761 -0.898176 0.253394
H -4.163567 -2.867458 0.518468
H -2.661840 -2.672872 1.463891
H -1.316519 2.091402 1.742194
H 0.029273 1.513945 -0.851258
H -0.674452 3.092039 -0.393285
H 0.984110 3.167154 1.565920
H 1.555190 0.666498 1.452791
H 3.001010 1.781988 1.473457
H 2.286174 3.111669 -0.971611
H 3.645650 -0.498021 1.662978
H 3.438491 0.042059 -2.648923
H 5.263868 -2.366944 1.353336
H 5.072991 -1.848932 -2.958918
H 5.992800 -3.060449 -0.949981


