%chk=000184077.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184077

0 1
O -5.326605 -0.398358 0.707727
O -3.073011 2.426936 0.799884
O -2.455718 -3.348044 -0.249174
O -5.642047 1.648412 1.447203
O 7.742435 2.097908 0.210213
N -0.794406 -1.789061 -0.145597
N 1.941452 0.554399 0.044012
C -3.672000 1.380590 0.038310
C -2.641652 0.266348 -0.012464
C -0.356508 -0.451509 -0.045442
C -3.088564 -1.027106 -0.093147
C 0.346867 -2.765230 -0.187427
C -1.248198 0.580528 0.016155
C 1.555063 -1.873211 -0.113326
C 1.125271 -0.476673 -0.029955
C -2.175091 -2.166900 -0.165622
C -4.028377 1.867873 -1.381304
C -4.549072 -1.341490 -0.084315
C -4.947937 0.916258 0.787157
C 2.884850 -2.161264 -0.113974
C 3.816307 -1.066265 -0.032123
C -5.044551 3.001058 -1.382175
C 3.311370 0.266088 0.044839
C 5.226772 -1.269531 -0.025751
C 4.216630 1.369837 0.128025
C 5.573824 1.134745 0.131703
C 6.081467 -0.196388 0.053778
C 6.544224 2.270849 0.217901
H 0.300468 -3.366351 -1.124072
H 0.273223 -3.476955 0.666862
H -0.925045 1.621672 0.114615
H -3.091196 2.209061 -1.872991
H -4.400132 1.016826 -1.986259
H -4.779867 -2.305576 0.422033
H -4.989089 -1.333179 -1.100028
H 3.263975 -3.181379 -0.173356
H -5.320797 3.279767 -2.407204
H -4.647887 3.904075 -0.900565
H -5.973865 2.734033 -0.859449
H -3.766646 3.076356 1.093118
H 5.614183 -2.287214 -0.084393
H 3.797275 2.378431 0.187627
H 7.169265 -0.330184 0.059860
H 6.099438 3.276717 0.288890


%chk=000184077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184077

0 1
O -5.313662 -0.314186 0.754696
O -3.093701 2.645741 0.645914
O -2.480819 -3.338423 -0.299010
O -5.421241 1.764255 1.704836
O 7.848042 2.123097 0.278645
N -0.785290 -1.727841 -0.153536
N 1.979478 0.573556 0.077934
C -3.658052 1.446896 0.040303
C -2.607769 0.340467 0.002359
C -0.323632 -0.413493 -0.033111
C -3.064359 -0.974791 -0.108778
C 0.311513 -2.730451 -0.222762
C -1.213260 0.647699 0.051393
C 1.544059 -1.857713 -0.133049
C 1.144876 -0.472700 -0.020635
C -2.150768 -2.110301 -0.194209
C -4.131919 1.786002 -1.417309
C -4.540641 -1.269350 -0.108121
C -4.863350 0.984371 0.901030
C 2.895760 -2.170625 -0.141982
C 3.841430 -1.093406 -0.039377
C -5.220051 2.874783 -1.475473
C 3.336064 0.268399 0.069337
C 5.259311 -1.312275 -0.040568
C 4.266968 1.346753 0.172189
C 5.647312 1.100615 0.168082
C 6.144958 -0.243695 0.060196
C 6.594364 2.241581 0.276175
H 0.235045 -3.306081 -1.163638
H 0.210167 -3.453511 0.607711
H -0.863868 1.672904 0.172015
H -3.226446 2.129938 -1.951813
H -4.476226 0.865167 -1.925750
H -4.741915 -2.265134 0.315122
H -4.988344 -1.223432 -1.119353
H 3.254092 -3.202948 -0.224019
H -5.451644 3.121811 -2.526763
H -4.872701 3.796719 -0.978677
H -6.158883 2.554178 -0.989219
H -3.761468 2.981191 1.308252
H 5.635529 -2.338876 -0.122378
H 3.865159 2.363047 0.253948
H 7.230120 -0.390648 0.060870
H 6.111858 3.247608 0.358321


