%chk=000147420.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147420

0 1
 O   4.6999999E-03   1.664300     -8.5000005E-03
 O    2.561400       1.540600       1.262500    
 O   -2.555000       1.521300      -1.289000    
 O   -2.032600       3.055300       1.676800    
 O    2.045300       3.009500      -1.728900    
 O   -2.559500       1.126000       2.743900    
 O    2.564100       1.060000      -2.762900    
 N   6.0600001E-02  0.9941000       3.632900    
 N  -5.6699999E-02  0.9241000      -3.649700    
 N    4.297200      6.3100003E-02 -0.1710000    
 N   -4.297000      7.5800002E-02  0.1695000    
 C   0.2559000      0.8722000       1.139600    
 C  -0.2524000      0.8454000      -1.154700    
 C  -0.2056000       1.675600       2.365900    
 C   0.2124000       1.625900      -2.394400    
 C    1.760600      0.6173000       1.117200    
 C   -1.758100      0.5973000      -1.127900    
 C    2.282100     -0.7706000      0.9291000    
 C   -2.285400     -0.7850000     -0.9161000    
 C   -1.712300       1.888000       2.296200    
 C    1.720100       1.833100      -2.328200    
 C    3.507200      -1.007000      0.3052000    
 C   -3.511500      -1.005500     -0.2884000    
 C    1.517000      -1.841300       1.391600    
 C   -1.524900      -1.866600      -1.360500    
 C    3.967100      -2.314100      0.1443000    
 C   -3.976800      -2.307800     -0.1053000    
 C    1.977000      -3.148300       1.230600    
 C   -1.990400      -3.168700      -1.177000    
 C    3.201900      -3.384700      0.6068000    
 C   -3.216200      -3.389300     -0.5495000    
 H  -0.3281000     -4.9800001E-02   1.096100    
 H   0.3293000     -7.6800004E-02  -1.089900    
 H   0.2782000       2.659800       2.394000    
 H  -0.2672000       2.611500      -2.438800    
 H  -0.2023000       1.600100       4.409500    
 H    1.061600      0.8290000       3.730200    
 H   0.2088000       1.515700      -4.436400    
 H   -1.058300      0.7616000      -3.744200    
 H   0.5778000      -1.703700       1.917100    
 H  -0.5849000      -1.741500      -1.887700    
 H    4.919900      -2.512700     -0.3397000    
 H   -4.930500      -2.494100      0.3821000    
 H    1.385400      -3.981700       1.597900    
 H   -1.402200      -4.010800      -1.530100    
 H    3.560600      -4.402300      0.4831000    
 H   -3.579200      -4.403200     -0.4084000    
 H   -3.003200       3.191200       1.634300    
 H    3.016400       3.142000      -1.688700    
 H    5.179600     -0.1299000     -0.6265000    
 H    3.976600       1.018300     -9.4700001E-02
 H   -5.180400     -0.1057000      0.6279000    
 H   -3.972500       1.028200      7.6800004E-02


%chk=000147420-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147420

0 1
O 0.007819 1.605164 -0.011158
O 2.721183 1.537509 1.083083
O -2.709364 1.527913 -1.083705
O -1.399518 3.617730 2.165465
O 1.420703 3.561806 -2.260955
O -2.288181 1.490864 2.454142
O 2.295378 1.419017 -2.462544
N 0.449920 1.030745 3.631801
N -0.452472 0.956272 -3.637967
N 4.711738 -0.032440 0.439473
N -4.709132 -0.024000 -0.426103
C 0.422050 0.833122 1.182626
C -0.415240 0.808274 -1.184851
C 0.166529 1.763236 2.390148
C -0.157986 1.710840 -2.412130
C 1.935095 0.521284 1.061363
C -1.929761 0.506904 -1.054787
C 2.425125 -0.847371 0.848810
C -2.427902 -0.856748 -0.829435
C -1.290354 2.240104 2.324236
C 1.302421 2.179144 -2.362998
C 3.823932 -1.077424 0.522176
C -3.828000 -1.075202 -0.500190
C 1.565789 -1.986462 0.957990
C -1.575936 -2.002310 -0.929182
C 4.270198 -2.418456 0.286879
C -4.282713 -2.411319 -0.253177
C 2.024369 -3.292038 0.740683
C -2.042768 -3.302984 -0.700552
C 3.389640 -3.499980 0.393203
C -3.409207 -3.499338 -0.350775
H -0.210525 -0.066443 1.284228
H 0.212231 -0.096844 -1.267153
H 0.845473 2.625140 2.299186
H -0.830250 2.579460 -2.336406
H -0.292488 0.384980 3.918010
H 0.814205 1.599855 4.397847
H 0.278266 0.290873 -3.908457
H -0.805541 1.514504 -4.417071
H 0.518833 -1.846505 1.240365
H -0.528071 -1.871738 -1.212765
H 5.322942 -2.585603 0.028221
H -5.336390 -2.569464 0.007316
H 1.342439 -4.141740 0.844074
H -1.366286 -4.157869 -0.796714
H 3.759088 -4.516340 0.213963
H -3.785002 -4.511752 -0.162668
H -2.360657 3.867374 2.080579
H 2.383758 3.808695 -2.190957
H 5.673180 -0.195345 0.148828
H 4.339980 0.911948 0.626718
H -5.671293 -0.178222 -0.133067
H -4.331648 0.916384 -0.621647


