%chk=000025648.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025648

0 1
 O   0.1609000       2.437300      0.1780000    
 O    2.230700      -1.112800     -0.3682000    
 O    2.214100      0.9834000      0.6024000    
 N   -1.949900      -1.028500     -0.2103000    
 C   0.2408000      0.1105000     -0.4626000    
 C  -0.5290000      -1.051700      0.1727000    
 C   -2.592000      0.2078000      0.2602000    
 C   -1.947100       1.440300     -0.3653000    
 C  -0.4526000       1.421600     -0.1443000    
 C   -2.641900      -2.198300      0.3321000    
 C    1.665500      7.3299997E-02 -4.3000001E-03
 C    3.600600      -1.282800      9.3999999E-03
 H   0.2428000      2.3300000E-02  -1.557200    
 H  -9.0499997E-02  -2.000200     -0.1629000    
 H  -0.4228000      -1.024500       1.266600    
 H   -2.536600      0.2778000       1.354900    
 H   -3.654400      0.2047000     -1.2600000E-02
 H   -2.364700       2.347100      8.4700003E-02
 H   -2.130800       1.476300      -1.444800    
 H   -2.611300      -2.227700       1.427400    
 H   -2.194300      -3.122300     -5.0600000E-02
 H   -3.691000      -2.205300      1.5900001E-02
 H    4.221700     -0.5161000     -0.4635000    
 H    3.929800      -2.265400     -0.3388000    
 H    3.700600      -1.244400       1.098300    


%chk=000025648-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025648

0 1
O 0.594934 1.988644 0.059931
O 2.576238 -0.434160 -0.776580
O 1.955835 -0.851831 1.430827
N -2.156649 -1.056614 -0.012888
C 0.234131 -0.425986 -0.291757
C -0.792270 -1.278318 0.510430
C -2.583064 0.349527 0.155531
C -1.646601 1.295060 -0.641104
C -0.188887 1.062780 -0.264408
C -3.135824 -2.022457 0.525427
C 1.644939 -0.600973 0.245044
C 3.999364 -0.463933 -0.356491
H 0.200765 -0.747378 -1.349962
H -0.538321 -2.347505 0.398082
H -0.695700 -1.026098 1.594339
H -2.586126 0.658812 1.232258
H -3.616407 0.454922 -0.221414
H -1.900374 2.353504 -0.461758
H -1.769687 1.074869 -1.719372
H -3.279381 -1.940476 1.631247
H -2.804228 -3.051262 0.299608
H -4.115365 -1.865675 0.039947
H 4.193366 0.348309 0.363238
H 4.568442 -0.317074 -1.284744
H 4.239468 -1.433288 0.111768


