%chk=000117405.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117405

0 1
 O    2.700800      -1.154600     -0.3094000    
 O    2.712700     -0.4628000       1.874900    
 N   -2.208200      -1.042000      0.8504000    
 N   -3.526000      0.5536000      4.4500001E-02
 C   0.7066000     -0.1499000      -1.024900    
 C    1.111400      0.4743000      0.3061000    
 C    2.001400     -0.7785000      -1.500800    
 C  -0.3792000      -1.212200     -0.8315000    
 C    1.608800       1.906200      0.1654000    
 C    2.244300     -0.4173000      0.7475000    
 C   -1.660000     -0.6180000     -0.3046000    
 C   0.4921000       2.850700     -0.2471000    
 C   -2.460300      0.3524000     -0.7965000    
 C   -3.344300     -0.3019000       1.025800    
 H   0.3512000      0.5720000      -1.766300    
 H   0.3216000      0.4239000       1.061500    
 H    1.847100      -1.662500      -2.126800    
 H    2.626300     -6.6900000E-02  -2.051400    
 H  -3.1599998E-02  -2.007500     -0.1592000    
 H  -0.5969000      -1.694300      -1.793400    
 H    2.431700       1.973900     -0.5564000    
 H    2.018700       2.244000       1.125600    
 H   0.1425000       2.661400      -1.265200    
 H  -0.3620000       2.774000      0.4334000    
 H   0.8511000       3.884800     -0.2159000    
 H   -1.859200      -1.760300       1.471800    
 H   -2.347300      0.9279000      -1.703500    
 H   -3.988900     -0.4340000       1.883100    


%chk=000117405-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117405

0 1
O 2.767675 -1.225421 -0.281166
O 2.735585 -0.538771 1.939119
N -2.133463 -0.848252 0.911825
N -3.720504 0.401384 -0.098887
C 0.733303 -0.168278 -1.071985
C 1.138379 0.466528 0.284614
C 2.057645 -0.829809 -1.535415
C -0.400004 -1.233339 -0.940229
C 1.642075 1.939061 0.192127
C 2.267305 -0.446948 0.793455
C -1.697566 -0.679384 -0.415846
C 0.494891 2.943008 -0.044511
C -2.698075 0.096435 -1.014310
C -3.350351 -0.185588 1.055042
H 0.408997 0.602304 -1.793204
H 0.310443 0.442553 1.015881
H 1.914002 -1.751994 -2.121238
H 2.712356 -0.133789 -2.089328
H -0.042073 -2.061534 -0.295655
H -0.574974 -1.673378 -1.940218
H 2.396373 2.025304 -0.615661
H 2.161655 2.185801 1.137518
H -0.059407 2.727914 -0.976495
H -0.233380 2.914206 0.786667
H 0.886498 3.973518 -0.116845
H -1.649172 -1.386873 1.630303
H -2.751033 0.445439 -2.043755
H -3.912782 -0.163697 1.985298


