%chk=000105478.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105478

0 1
O -7.699380 0.094651 0.563840
N -7.192874 1.875602 -0.736357
C 5.348170 -0.576643 0.157308
C 3.850158 -0.254902 0.088200
C 6.198031 0.625610 -0.275955
C 2.996575 -1.457598 0.521800
C 7.697207 0.305807 -0.207663
C 1.531719 -1.125303 0.447785
C 8.548636 1.507595 -0.641037
C 0.811807 -1.354917 -0.735311
C 0.872870 -0.574604 1.558346
C 10.041899 1.194997 -0.574963
C -1.204150 -0.495225 0.306273
C -0.547155 -1.045639 -0.805421
C -0.484902 -0.260147 1.488634
C -2.644156 -0.166082 0.232820
C -3.578144 -1.157728 -0.109796
C -3.084070 1.139256 0.510015
C -4.936931 -0.846834 -0.176142
C -4.442088 1.452195 0.435297
C -5.368165 0.461478 0.084047
C -6.832986 0.755624 0.017850
H 5.577506 -1.449357 -0.484280
H 5.622833 -0.879333 1.186305
H 3.617959 0.617452 0.730008
H 3.572558 0.047482 -0.940556
H 5.924577 0.928854 -1.305096
H 5.970077 1.498730 0.365588
H 3.228260 -2.335337 -0.115327
H 3.273090 -1.766520 1.550504
H 7.927508 -0.566722 -0.848736
H 7.972982 0.003120 0.820769
H 8.321238 2.381073 0.000976
H 8.275738 1.810441 -1.670914
H 1.315230 -1.775667 -1.604085
H 1.422836 -0.390663 2.479802
H 10.308627 0.357557 -1.229638
H 10.354133 0.928226 0.441114
H 10.641217 2.057972 -0.886032
H -1.098933 -1.226013 -1.727302
H -0.990996 0.161256 2.356799
H -3.241182 -2.174628 -0.309744
H -2.361260 1.908071 0.780801
H -5.668672 -1.620200 -0.420245
H -4.779248 2.463532 0.663135
H -6.538650 2.399684 -1.286726
H -8.167697 2.105794 -0.851990


%chk=000105478-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105478

0 1
O -7.729186 -0.260204 -0.880330
N -7.468601 1.910452 -0.123574
C 5.419997 -0.499188 0.308481
C 3.908057 -0.212551 0.176250
C 6.304370 0.590830 -0.338293
C 3.026173 -1.323057 0.815078
C 7.817592 0.299043 -0.221818
C 1.538837 -1.050868 0.659985
C 8.702073 1.383487 -0.878694
C 0.844482 -1.435935 -0.516536
C 0.805711 -0.366838 1.663777
C 10.212027 1.082556 -0.762063
C -1.259566 -0.460943 0.320133
C -0.524625 -1.149087 -0.684788
C -0.563848 -0.076199 1.499489
C -2.708038 -0.161387 0.144240
C -3.558405 -1.033292 -0.593709
C -3.291835 1.004495 0.713765
C -4.924897 -0.748366 -0.760558
C -4.660085 1.292385 0.546156
C -5.496764 0.422597 -0.201012
C -6.968867 0.651222 -0.425935
H 5.648550 -1.480603 -0.158105
H 5.684031 -0.597699 1.382480
H 3.667356 0.760134 0.651009
H 3.640655 -0.110069 -0.894968
H 6.033102 0.693408 -1.409949
H 6.082673 1.571314 0.132759
H 3.285687 -2.291490 0.343061
H 3.287384 -1.409145 1.888166
H 8.038764 -0.683883 -0.688476
H 8.092930 0.202624 0.849491
H 8.482178 2.365173 -0.411304
H 8.424436 1.480096 -1.948343
H 1.386110 -1.964820 -1.310789
H 1.312647 -0.071699 2.590899
H 10.462681 0.120232 -1.247305
H 10.521676 1.013185 0.297958
H 10.821306 1.871126 -1.240917
H -1.023564 -1.437480 -1.616956
H -1.107931 0.420525 2.311079
H -3.148864 -1.958844 -1.012754
H -2.661814 1.705096 1.272641
H -5.584650 -1.425961 -1.312209
H -5.062846 2.193421 1.024498
H -6.879860 2.690437 0.157878
H -8.465440 2.067769 -0.265189


