%chk=000094473.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094473

0 1
 O   -2.243900       2.170500     -0.4493000    
 O   0.1395000       1.674500      0.5863000    
 N   0.9771000     -0.4081000     -9.6699998E-02
 N    3.199500      -1.208300     -0.4001000    
 N    3.001400      0.8635000      0.2663000    
 N    4.472000     -0.7964000     -0.2950000    
 C   -1.400400     -3.5999999E-03  0.1129000    
 C   -2.457700      0.8448000     -0.2158000    
 C  -3.9299998E-02  0.5039000      0.2163000    
 C   -1.639800      -1.357200      0.3493000    
 C    2.379300     -0.2094000     -6.3400000E-02
 C   -3.754600      0.3395000     -0.3080000    
 C   -2.936700      -1.862600      0.2572000    
 C   -3.994100      -1.014100     -7.1300000E-02
 C    4.297700      0.4629000      0.1114000    
 H  -0.8548000      -2.047300      0.6448000    
 H   0.7163000      -1.333300     -0.4280000    
 H   -4.588000      0.9889000     -0.5624000    
 H   -3.125300      -2.914800      0.4498000    
 H   -5.004100      -1.407200     -0.1409000    
 H    3.002600      -2.156700     -0.6989000    
 H    5.142000       1.109200      0.3003000    
 H   -3.092100       2.596600     -0.6617000    


%chk=000094473-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094473

0 1
O -2.005049 1.277680 -1.885105
O 0.377812 1.601426 -0.185984
N 0.984988 -0.637029 -0.026043
N 2.968826 0.817471 -0.089153
N 3.296072 -1.397690 0.058540
N 4.361525 0.669606 -0.058430
C -1.391788 -0.090801 0.003223
C -2.402952 0.415825 -0.862143
C 0.026696 0.385924 -0.092716
C -1.764709 -1.012343 1.016605
C 2.362404 -0.414884 -0.018064
C -3.749790 0.008000 -0.700681
C -3.105057 -1.420297 1.181510
C -4.097986 -0.902498 0.318468
C 4.491157 -0.684958 0.030022
H -0.999397 -1.381210 1.709688
H 0.697438 -1.618293 -0.029019
H -4.522085 0.398318 -1.375871
H -3.372587 -2.121017 1.977950
H -5.143462 -1.206403 0.436298
H 2.498180 1.721825 -0.164492
H 5.467378 -1.158925 0.075391
H -2.781016 1.585575 -2.416896


