%chk=000095804.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095804

0 1
 O    1.618000     -0.9346000      6.4900003E-02
 N   -1.273300      -2.032600     -5.5100001E-02
 N   0.5539000       1.155100      0.1040000    
 N   -3.070700     -0.7143000     -6.3699998E-02
 N   -1.872700       1.398500      4.1200001E-02
 N  -0.4641000       3.263900      0.1443000    
 C    2.842100     -0.2127000      0.1247000    
 C  -0.7957000     -0.7543000      1.4000000E-03
 C   0.4649000     -0.1931000      5.6699999E-02
 C   -1.930500      4.5699999E-02 -5.1000002E-03
 C    3.875200      -1.040100      0.8740000    
 C    3.297700      0.1183000      -1.288400    
 C   -2.640700      -1.957700     -9.2500001E-02
 C  -0.6039000       1.857800      9.3599997E-02
 H    2.739700      0.7164000      0.6999000    
 H    4.832900     -0.5154000      0.9460000    
 H    3.522500      -1.265200       1.886400    
 H    4.039400      -2.002900      0.3775000    
 H    4.254500      0.6496000      -1.281600    
 H    2.563100      0.7427000      -1.807100    
 H    3.410600     -0.7940000      -1.884700    
 H  -0.7218000      -2.880300     -6.7199998E-02
 H   -3.259400      -2.842400     -0.1400000    
 H   -1.290600       3.845500      0.1397000    
 H   0.4606000       3.669500      0.1849000    


%chk=000095804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095804

0 1
O 1.604916 -0.891441 0.129615
N -1.240783 -2.071969 0.009101
N 0.529571 1.240872 0.079557
N -3.114685 -0.753303 -0.060915
N -1.931330 1.431988 -0.010583
N -0.546224 3.322099 0.049459
C 2.944666 -0.194540 0.173538
C -0.789372 -0.748495 0.025681
C 0.467527 -0.106148 0.074976
C -1.967356 0.066879 -0.017395
C 3.890232 -1.203790 0.827469
C 3.347524 0.206739 -1.252142
C -2.633608 -2.010657 -0.043217
C -0.668372 1.948573 0.040850
H 2.815466 0.707325 0.799060
H 4.901918 -0.767926 0.914949
H 3.538810 -1.475976 1.837225
H 3.960036 -2.123625 0.220235
H 4.340135 0.693944 -1.238732
H 2.619476 0.917701 -1.675841
H 3.407050 -0.683017 -1.903857
H -0.656591 -2.905929 0.031197
H -3.252632 -2.905257 -0.066990
H -1.390968 3.885865 0.020959
H 0.376296 3.743485 0.089601


