%chk=000005094.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005094

0 1
 O   -2.509900     -0.3966000     -9.9999997E-05
 O    4.219400     -0.9432000     -2.7000001E-03
 O    3.712100       1.197000     -1.5000000E-03
 O   -4.130400       1.238600     -5.0000002E-04
 N   0.9968000      0.5911000      1.8000000E-03
 N  -1.2500000E-02  -1.387200      1.5000000E-03
 N    3.358800     -1.7000001E-02 -8.9999998E-04
 N   -4.676400     -0.9950000     -2.4999999E-03
 C  -0.1741000     -9.4200000E-02  2.2000000E-03
 C    1.997400     -0.3395000      8.9999998E-04
 C   -1.493700      0.6125000      1.5000000E-03
 C    1.158700       2.027800       0.000000    
 C    1.349900      -1.552600      1.3000000E-03
 C   -3.796000      5.8600001E-02 -1.0000000E-03
 H   -1.596400       1.226200      0.9033000    
 H   -1.594800       1.227500     -0.8995000    
 H   0.1867000       2.524700      1.0000000E-03
 H    1.692600       2.326000      0.9059000    
 H    1.690000       2.324100     -0.9081000    
 H    1.789200      -2.540200      5.0000002E-04
 H   -4.350500      -1.955800     -2.9000000E-03
 H   -5.679700     -0.8453000     -3.3000000E-03


%chk=000005094-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005094

0 1
O -2.547662 -0.462705 -0.000605
O 4.260179 -1.047173 0.000951
O 3.814966 1.203669 0.000922
O -4.138950 1.280968 0.000030
N 1.010765 0.617882 -0.000056
N 0.045424 -1.452844 -0.000119
N 3.440736 -0.044887 -0.000061
N -4.754103 -0.992902 -0.001043
C -0.177030 -0.108838 -0.000133
C 2.042280 -0.344370 -0.000142
C -1.516372 0.575908 0.000024
C 1.137058 2.090399 -0.000005
C 1.421660 -1.603557 -0.000249
C -3.867747 0.054100 -0.000511
H -1.641401 1.224714 0.890358
H -1.641207 1.225595 -0.889693
H 0.129790 2.533010 0.000775
H 1.690155 2.428925 0.889064
H 1.688866 2.429121 -0.889817
H 1.903018 -2.577548 -0.000343
H -4.413713 -1.951846 -0.001409
H -5.749511 -0.790121 -0.001036


