%chk=000079615.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079615

0 1
 O   -3.522300      0.2760000     -0.1054000    
 O    3.516800     -0.2808000      6.2700003E-02
 O   -3.000000      -1.933800      0.1586000    
 O    3.013800       1.946200     -5.2200001E-02
 N   -1.324200     -0.3859000     -0.2817000    
 N    1.327100      0.3886000      0.3049000    
 C  -0.9050000      0.9968000     -0.5400000    
 C  -0.2544000      -1.382800     -0.3486000    
 C   0.2571000       1.385500      0.3693000    
 C   0.9080000     -0.9949000      0.5607000    
 C   -2.646600     -0.7762000     -5.7900000E-02
 C    2.651000      0.7802000      9.2399999E-02
 C   -4.901800     -4.0700000E-02  0.1138000    
 C    4.897100      3.6499999E-02 -0.1496000    
 C   -5.719400       1.230300      2.6400000E-02
 C    5.702900      -1.245100     -0.1533000    
 H   -1.731300       1.699800     -0.4057000    
 H  -0.5972000       1.042700      -1.591400    
 H   7.7299997E-02  -1.424200      -1.393000    
 H  -0.6285000      -2.375300     -7.9099998E-02
 H   0.6316000       2.377300      9.7400002E-02
 H  -7.4900001E-02   1.429000       1.413500    
 H   0.5994000      -1.041400       1.611900    
 H    1.734600      -1.697800      0.4279000    
 H   -5.238800     -0.7507000     -0.6497000    
 H   -5.019800     -0.4891000       1.106500    
 H    5.010000      0.5473000      -1.112300    
 H    5.248500      0.6921000      0.6548000    
 H   -6.780900       1.024800      0.1896000    
 H   -5.381200       1.957800      0.7718000    
 H   -5.596700       1.700600     -0.9548000    
 H    6.764800      -1.039100     -0.3135000    
 H    5.585000      -1.777000      0.7966000    
 H    5.350500      -1.919400     -0.9408000    


%chk=000079615-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079615

0 1
O -3.505551 0.303893 -0.123013
O 3.502685 -0.306460 0.100680
O -2.988121 -1.978952 0.111059
O 2.985204 1.976322 -0.133962
N -1.319471 -0.391559 -0.348662
N 1.316383 0.388795 0.324701
C -0.896705 0.999829 -0.609472
C -0.241917 -1.400405 -0.384176
C 0.238831 1.397634 0.360320
C 0.893595 -1.002555 0.585619
C -2.619317 -0.791454 -0.106144
C 2.616177 0.788632 0.081825
C -4.933385 -0.047130 0.123841
C 4.930872 0.044838 -0.143758
C -5.714790 1.262968 0.097456
C 5.712411 -1.265162 -0.116400
H -1.761845 1.666483 -0.485891
H -0.529090 1.080705 -1.652858
H 0.161301 -1.470736 -1.414974
H -0.674204 -2.374292 -0.103806
H 0.671107 2.371541 0.080005
H -0.164380 1.467894 1.391123
H 0.525902 -1.083310 1.628988
H 1.758726 -1.669238 0.462139
H -5.262758 -0.750728 -0.661973
H -5.006524 -0.563092 1.098109
H 5.005522 0.561093 -1.117748
H 5.258879 0.748243 0.642808
H -6.787330 1.060484 0.271918
H -5.359618 1.950970 0.883966
H -5.611251 1.765637 -0.879579
H 6.785226 -1.062484 -0.288932
H 5.607237 -1.768115 0.860313
H 5.358699 -1.952989 -0.903720


