%chk=000008704.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008704

0 1
 O   5.0000002E-04   1.979700     -9.9999997E-05
 O    3.320300     -0.1374000      0.4955000    
 O   -3.319200     -0.1380000     -0.4973000    
 N    1.104000     -8.7099999E-02 -0.2210000    
 N   -1.104100     -8.6300001E-02  0.2227000    
 C   0.7349000      -1.487000     -0.1951000    
 C  -0.7361000      -1.486600      0.1960000    
 C   1.9999999E-04  0.7552000      8.9999998E-04
 C    2.453700      0.3431000     -0.5139000    
 C   -2.454200      0.3446000      0.5124000    
 H    1.350400      -2.028000      0.5298000    
 H   0.8873000      -1.911300      -1.192500    
 H   -1.351800      -2.026900     -0.5292000    
 H  -0.8891000      -1.911400       1.193200    
 H    2.501500       1.435200     -0.5428000    
 H    2.750900     -6.8099998E-02  -1.483100    
 H   -2.501900       1.436700      0.5390000    
 H   -2.752900     -6.4700000E-02   1.481900    
 H    4.218200      0.1559000      0.2651000    
 H   -4.217500      0.1555000     -0.2688000    


%chk=000008704-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008704

0 1
O 0.000521 1.862738 -0.001353
O 3.274587 0.284357 0.281340
O -3.275034 0.286140 -0.282106
N 1.013856 -0.238603 -0.503697
N -1.014344 -0.237462 0.502717
C 0.760891 -1.656985 -0.163888
C -0.762321 -1.656317 0.164225
C 0.000064 0.597494 -0.000807
C 2.322104 0.283546 -0.843079
C -2.322158 0.285768 0.842004
H 1.369875 -1.961809 0.708799
H 1.000936 -2.319781 -1.012726
H -1.371419 -1.961522 -0.708257
H -1.002931 -2.318190 1.013621
H 2.174536 1.303313 -1.243545
H 2.796715 -0.368069 -1.592455
H -2.173805 1.305816 1.241455
H -2.796908 -0.364846 1.592173
H 3.038957 1.023322 0.898445
H -3.039023 1.024191 -0.900164


