%chk=000131379.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131379

0 1
 O  -0.8997000      -1.574400      0.3688000    
 O    1.812400       1.804500     -0.7142000    
 O  -0.5004000       3.110500      0.3325000    
 O    3.752600      -2.490600      1.8400000E-02
 O   -4.754000       1.179600     -0.6219000    
 O    5.136800     -0.3393000      -1.139200    
 O   -4.956800      -1.383000     -0.5783000    
 N   -3.151300      -2.710700     -9.2399999E-02
 C   0.6161000      0.2610000      0.7244000    
 C  -0.7503000      0.7266000      0.3207000    
 C   0.4420000      -1.228000      0.5099000    
 C    1.785100      0.7175000     -0.1418000    
 C   -1.581900     -0.3920000      0.1793000    
 C   0.8941000      0.5955000       2.195200    
 C   -1.261900       2.001100      0.1575000    
 C    2.986600     -0.1980000     -0.2097000    
 C    1.452100      -2.054200      0.2166000    
 C   -2.920800     -0.2856000     -0.1340000    
 C    2.784200      -1.513000      2.8200001E-02
 C   -2.616200       2.131800     -0.1658000    
 C   -3.437900      0.9988000     -0.3095000    
 C    4.310900      0.3477000     -0.5386000    
 C   -3.753100      -1.470000     -0.2799000    
 C    4.611600       1.764300     -0.1260000    
 H    1.836800      0.1546000       2.540200    
 H   0.9756000       1.677200       2.351400    
 H   9.8899998E-02  0.2280000       2.855400    
 H    1.260300      -3.095600     -1.9300001E-02
 H   -3.036400       3.127000     -0.2966000    
 H   0.4138000       2.851000      0.5306000    
 H    3.355100      -3.350400      0.2367000    
 H    4.062600       2.040300      0.7784000    
 H    4.370900       2.448900     -0.9427000    
 H    5.677900       1.844200      0.1070000    
 H   -4.933300       2.131900     -0.7047000    
 H   -2.176100      -2.844500      0.1463000    
 H   -3.698900      -3.559400     -0.1927000    


%chk=000131379-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131379

0 1
O -0.880411 -1.617752 0.362733
O 1.931535 2.061068 -0.288387
O -0.474152 3.133031 -0.145409
O 3.940328 -2.295333 0.073282
O -4.876278 1.123345 -0.522161
O 5.060311 -0.198094 -1.439906
O -5.075277 -1.450857 0.671926
N -3.445751 -2.717113 -0.379354
C 0.615645 0.237802 0.613158
C -0.746117 0.715034 0.136861
C 0.463651 -1.250671 0.439515
C 1.902994 0.801933 -0.006717
C -1.625775 -0.380514 0.141327
C 0.756385 0.545786 2.167068
C -1.264863 2.008774 -0.100035
C 3.037585 -0.091851 -0.116186
C 1.529346 -2.094309 0.307168
C -3.019094 -0.329959 -0.021185
C 2.831296 -1.474396 0.101604
C -2.661996 2.128489 -0.308369
C -3.512883 0.998593 -0.265660
C 4.393702 0.423705 -0.570191
C -3.938424 -1.519912 0.123128
C 4.909432 1.699246 0.073938
H 1.683455 0.106957 2.574069
H 0.779075 1.640014 2.305844
H -0.112679 0.134340 2.706738
H 1.409900 -3.180444 0.237003
H -3.064100 3.123523 -0.529286
H 0.520116 2.860728 -0.188167
H 3.705988 -3.249378 0.202776
H 4.974513 1.574307 1.171914
H 4.208054 2.530032 -0.117997
H 5.904564 1.937832 -0.331675
H -5.121936 2.072532 -0.661022
H -2.509168 -2.803490 -0.769875
H -4.021571 -3.549695 -0.258268


