%chk=000031840.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031840

0 1
 O   9.6000005E-03 -0.3808000     -4.7699999E-02
 O   -3.847400       2.682800      0.3429000    
 O    3.902200       2.638500      0.2053000    
 O   -5.868000      -1.638500     -8.1100002E-02
 O    5.860900      -1.704600     -0.2816000    
 O   -6.119100       1.104000      0.2139000    
 O    6.151200       1.035400      8.9999998E-04
 N  -0.6964000      -2.493200     -0.2576000    
 N   0.6858000      -2.500400     -0.2815000    
 C   -2.346600     -0.6359000     -3.3399999E-02
 C    2.361900     -0.6606000     -0.1166000    
 C   -1.047000      -1.235800     -0.1195000    
 C    1.046000      -1.250400     -0.1566000    
 C   -3.496300      -1.430800     -9.8099999E-02
 C    3.492300      -1.471300     -0.2200000    
 C   -2.476800      0.7492000      0.1152000    
 C    2.504100      0.7195000      2.6200000E-02
 C   -3.741300       1.332300      0.1981000    
 C    3.776800       1.289100      6.5700002E-02
 C   -4.760700     -0.8476000     -1.5300000E-02
 C    4.765000     -0.9018000     -0.1804000    
 C   -4.883200      0.5339000      0.1328000    
 C    4.907300      0.4785000     -3.7599999E-02
 C   -3.919200       3.458900     -0.8515000    
 C    3.982200       3.147800       1.535000    
 C   -6.374300      -2.148400       1.150900    
 C    6.401700      -2.219300      0.9336000    
 C   -6.992000      0.9172000     -0.8977000    
 C    6.721100       1.432200      -1.244200    
 H   -3.418000      -2.509900     -0.2146000    
 H    3.397300      -2.549300     -0.3324000    
 H   -1.605800       1.398600      0.1701000    
 H    1.642100       1.377800      0.1082000    
 H   -3.009400       3.331100      -1.446600    
 H   -4.008200       4.512000     -0.5708000    
 H   -4.796900       3.179300      -1.442600    
 H    4.087700       4.234700       1.479700    
 H    3.069300       2.912400       2.091100    
 H    4.854600       2.737500       2.053200    
 H   -7.264000      -2.745800      0.9344000    
 H   -5.630700      -2.789900       1.634200    
 H   -6.656900      -1.330000       1.820500    
 H    7.273600      -2.831700      0.6883000    
 H    6.720700      -1.403400       1.589800    
 H    5.665400      -2.847200       1.445200    
 H   -7.671900      8.2800001E-02 -0.7047000    
 H   -7.593500       1.824200      -1.008900    
 H   -6.444300      0.7549000      -1.832700    
 H    7.709800       1.856400      -1.048400    
 H    6.836200      0.5695000      -1.907900    
 H    6.102200       2.196100      -1.725500    


%chk=000031840-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031840

0 1
O 0.006189 -0.231068 -0.053351
O -4.040017 2.735398 0.212815
O 4.125287 2.723914 0.276006
O -5.948638 -1.829426 -0.359160
O 5.952548 -1.869630 -0.098170
O -6.418672 0.970020 -0.027797
O 6.419514 0.972996 0.122824
N -0.709579 -2.383795 -0.305853
N 0.723744 -2.387239 -0.269066
C -2.454214 -0.565494 -0.151785
C 2.466194 -0.575651 -0.025017
C -1.102944 -1.108312 -0.177771
C 1.116096 -1.113686 -0.121141
C -3.557309 -1.452791 -0.275162
C 3.569501 -1.468225 -0.077470
C -2.674228 0.821991 0.004113
C 2.683225 0.815107 0.140518
C -3.986243 1.352000 0.019750
C 3.995861 1.327425 0.213043
C -4.858278 -0.932975 -0.239211
C 4.876238 -0.960144 0.007242
C -5.101345 0.470286 -0.112029
C 5.110289 0.444377 0.112182
C -5.207201 3.524671 -0.219472
C 5.003531 3.280525 1.330007
C -6.717551 -2.015844 0.894728
C 6.833391 -1.936788 1.092147
C -7.256105 0.761852 -1.236633
C 7.156137 0.794630 -1.156653
H -3.401859 -2.529194 -0.383855
H 3.412173 -2.545118 -0.180611
H -1.837527 1.518255 0.102244
H 1.846099 1.515477 0.197232
H -5.451143 3.323393 -1.280101
H -4.882055 4.570502 -0.106386
H -6.086833 3.316716 0.408766
H 4.956236 4.370904 1.189556
H 4.610556 3.013520 2.329874
H 6.036773 2.914776 1.216234
H -7.528765 -2.714550 0.639981
H -6.069815 -2.459144 1.674237
H -7.131556 -1.054060 1.248529
H 7.616500 -2.664813 0.832265
H 7.277856 -0.949604 1.311844
H 6.259890 -2.297297 1.966709
H -7.292182 -0.308137 -1.502692
H -8.256776 1.130776 -0.964930
H -6.851283 1.350874 -2.082136
H 8.154036 1.223685 -0.980259
H 7.232155 -0.276844 -1.412136
H 6.641199 1.345759 -1.964300


