%chk=000187238.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187238

0 1
I -0.661764 1.944610 2.478606
O -0.992827 1.698259 -0.750946
O -2.040745 -0.216158 -3.161354
N -3.532911 0.150121 0.216748
N 3.164279 0.669994 0.979845
N 2.980025 1.104329 4.476643
C -4.118153 -0.776903 1.245856
C -2.716471 -0.509576 -0.839382
C -2.687153 0.432522 -2.060277
C -4.811884 0.123732 2.289846
C -5.158155 -1.685700 0.567331
C -3.041275 -1.633906 1.944845
C -2.017606 1.789646 -1.784065
C 0.261633 1.283548 -1.089950
C 1.140618 1.149766 0.022837
C 2.490798 0.731672 -0.242488
C 1.022950 1.338303 1.432615
C 0.718595 1.001851 -2.371691
C 2.959967 0.450061 -1.545649
C 2.255131 1.045966 2.006474
C 2.058830 0.595810 -2.583060
C 2.655295 1.078381 3.367143
H -1.680847 -0.741414 -0.508721
H -3.181228 -1.473145 -1.147461
H -2.949103 0.866408 0.678256
H -3.718542 0.601762 -2.460355
H -5.518891 0.810391 1.807689
H -5.375614 -0.474382 3.012178
H -4.095000 0.728299 2.852946
H -4.699196 -2.360115 -0.163071
H -5.903673 -1.087116 0.028818
H -5.687041 -2.301008 1.300489
H -2.239437 -1.014538 2.363341
H -3.469377 -2.210186 2.770844
H -2.579356 -2.350457 1.260483
H -2.721928 2.492814 -1.292392
H -1.607027 2.242528 -2.701493
H -1.161099 -0.568349 -2.905693
H 0.061750 1.110300 -3.234210
H 4.124767 0.415332 1.126129
H 3.983818 0.137918 -1.714260
H 2.377048 0.393731 -3.608743


%chk=000187238-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187238

0 1
I -0.274889 1.571953 2.722679
O -0.855379 1.267397 -0.603999
O -1.800807 -0.612843 -3.026070
N -3.542420 -0.080696 0.294424
N 3.591896 1.213711 0.830131
N 3.638880 1.566030 4.376806
C -4.451597 -0.828010 1.225471
C -2.890483 -0.821440 -0.801431
C -2.590274 0.105925 -2.006919
C -4.833547 0.169830 2.345757
C -5.731923 -1.251582 0.462819
C -3.765207 -2.078757 1.852554
C -1.948735 1.440264 -1.592295
C 0.471090 1.162735 -1.019901
C 1.449938 1.222502 0.022861
C 2.843039 1.127953 -0.340501
C 1.400332 1.368860 1.455482
C 0.898487 1.008900 -2.354940
C 3.282090 0.983896 -1.677943
C 2.725954 1.361059 1.933085
C 2.287393 0.927935 -2.667611
C 3.217150 1.472611 3.259185
H -1.931660 -1.307074 -0.492532
H -3.554769 -1.625946 -1.159618
H -2.839918 0.453482 0.828124
H -3.534669 0.357060 -2.522896
H -5.306900 1.069112 1.913310
H -5.537714 -0.293216 3.059559
H -3.937263 0.488339 2.914240
H -5.511277 -1.965996 -0.351760
H -6.219352 -0.364822 0.021160
H -6.443765 -1.744090 1.149983
H -2.857413 -1.786423 2.413495
H -4.448849 -2.597374 2.550297
H -3.468328 -2.804280 1.072468
H -2.698301 2.040924 -1.051757
H -1.590199 1.997667 -2.476481
H -1.048585 -1.078238 -2.575494
H 0.166547 0.938213 -3.164203
H 4.607550 1.180701 0.895374
H 4.344331 0.917874 -1.931216
H 2.578748 0.810955 -3.716991


