%chk=000023220.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023220

0 1
 O   -3.566300       1.283900      0.2501000    
 O   -4.403900      -1.357400      0.2428000    
 N   -1.318400       1.611600     -0.2438000    
 N   -2.244100     -0.5632000     -0.1730000    
 N   -2.697000      -2.821000     -0.2282000    
 C   0.8158000      0.7268000      0.6721000    
 C  -1.7999999E-02   1.031700     -0.5700000    
 C    2.172100      0.1526000      0.3443000    
 C   -1.363700       3.065400     -0.1571000    
 C    2.320000      -1.221200      0.2332000    
 C    3.246500       1.008900      0.1593000    
 C   -2.458800      0.8142000     -2.6500000E-02
 C    3.573700      -1.752200     -7.0000000E-02
 C    4.500100      0.4778000     -0.1441000    
 C    4.663600     -0.9028000     -0.2588000    
 C   -3.221600      -1.555100     -3.0400001E-02
 H   0.5175000       1.762400      -1.191800    
 H  -0.1180000      0.1571000      -1.219700    
 H   0.9441000       1.636300       1.273800    
 H   0.2757000      3.0500000E-02   1.327000    
 H   -2.361300       3.411400      0.1249000    
 H   -1.105700       3.486500      -1.133100    
 H  -0.6444000       3.403300      0.5939000    
 H    1.476200      -1.890300      0.3759000    
 H    3.128400       2.085300      0.2445000    
 H    3.700900      -2.827000     -0.1602000    
 H    5.348800       1.139100     -0.2917000    
 H    5.639700      -1.316100     -0.4953000    
 H   -1.308300     -0.9186000     -0.3166000    
 H   -3.280900      -3.647600     -0.1558000    
 H   -1.718600      -2.965800     -0.4534000    


%chk=000023220-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023220

0 1
O -3.490103 1.270664 0.343169
O -3.383405 -1.538676 1.478984
N -1.301012 1.604605 -0.432083
N -2.213827 -0.583397 -0.356222
N -2.999961 -2.785195 -0.458493
C 0.772881 0.679809 0.703527
C 0.067236 1.085211 -0.627788
C 2.167029 0.132110 0.444498
C -1.447243 3.065937 -0.299022
C 2.384679 -1.264920 0.322887
C 3.270860 1.006525 0.265360
C -2.404176 0.806935 -0.096047
C 3.669297 -1.776134 0.029026
C 4.556870 0.500520 -0.028069
C 4.759959 -0.894102 -0.149852
C -2.927047 -1.621444 0.313516
H 0.655713 1.876507 -1.127066
H 0.082557 0.223516 -1.324350
H 0.814893 1.571335 1.357225
H 0.146116 -0.072833 1.215548
H -2.499741 3.287584 -0.067090
H -1.159635 3.570484 -1.240152
H -0.819010 3.458648 0.524168
H 1.545412 -1.955291 0.477011
H 3.123910 2.089390 0.369800
H 3.821362 -2.858434 -0.052244
H 5.399471 1.189552 -0.155828
H 5.757450 -1.288515 -0.373387
H -1.514254 -0.865419 -1.044954
H -3.424581 -3.597964 -0.015958
H -2.917597 -2.770506 -1.473812


