%chk=000096797.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096797

0 1
 O    2.638800      0.8928000      0.9325000    
 O   0.8898000      -2.761300     -0.2977000    
 O   -2.208500       1.651900      0.4007000    
 O   0.8509000      -1.264800       1.430100    
 N  -0.2335000      0.6156000     -0.2041000    
 N   -3.767800     -0.4851000      1.7100001E-02
 C   0.5375000     -0.4697000     -0.8028000    
 C    1.852300      0.1797000      -1.234400    
 C    2.021500       1.348500     -0.2652000    
 C   0.5943000       1.798400      1.4800000E-02
 C   -1.601800      0.6502000      1.5300000E-02
 C   0.7752000      -1.522500      0.2382000    
 C   -2.348800     -0.6335000     -0.2444000    
 H  -9.3999999E-03 -0.8997000      -1.646900    
 H    2.697000     -0.5162000      -1.212800    
 H    1.741000      0.5706000      -2.253100    
 H    2.642400       2.149500     -0.6751000    
 H   0.4369000       2.175300       1.030100    
 H   0.2687000       2.556300     -0.7064000    
 H    1.983600      0.4057000       1.458300    
 H   -1.953000      -1.416700      0.4079000    
 H   -2.209400     -0.9338000      -1.287000    
 H    1.043800      -3.444800      0.3889000    
 H   -4.242600      -1.366200     -0.1752000    
 H   -4.166600      0.1965000     -0.6275000    


%chk=000096797-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096797

0 1
O 2.757470 1.146319 0.949729
O 0.513671 -2.847840 -0.066882
O -2.269773 1.607615 0.287342
O 1.411637 -1.333855 1.438361
N -0.266321 0.581258 -0.234053
N -3.779931 -0.612683 -0.071438
C 0.564795 -0.523945 -0.759632
C 1.862652 0.208587 -1.212854
C 1.985539 1.432498 -0.256616
C 0.514007 1.822048 0.034671
C -1.645220 0.573029 -0.102676
C 0.875293 -1.565111 0.328026
C -2.384212 -0.731354 -0.463450
H 0.067097 -1.045123 -1.594165
H 2.765441 -0.421828 -1.171667
H 1.719971 0.553016 -2.252421
H 2.533067 2.260251 -0.733098
H 0.387119 2.152444 1.078880
H 0.149817 2.633014 -0.623113
H 2.351760 0.361182 1.416393
H -1.879597 -1.582093 0.044013
H -2.241209 -0.902469 -1.559696
H 0.745910 -3.505635 0.645253
H -4.464087 -1.119254 -0.629516
H -4.042595 0.336631 0.209909


