%chk=000031743.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031743

0 1
 O   -1.209200     -0.6562000      -1.099900    
 O   -4.810600      -2.113700      0.2993000    
 N  -0.7436000       1.539000     -0.4809000    
 N   -3.763100     -0.3834000     -0.8800000    
 C   0.6974000       1.465600     -0.5609000    
 C    1.492600      0.9754000      0.5998000    
 C    1.544900       2.422100      0.2047000    
 C    2.668000      0.1070000      0.3488000    
 C   -3.017800      0.8050000     -0.5748000    
 C   -1.573200      0.4662000     -0.7589000    
 C   -3.374000       1.093700      0.8711000    
 C    2.495800      -1.258800      0.1017000    
 C    3.957700      0.6477000      0.3575000    
 C   -3.721400     -0.2755000       1.455000    
 C   -4.194800      -1.059900      0.2558000    
 C    3.601900      -2.075200     -0.1345000    
 C    5.063700     -0.1688000      0.1212000    
 C    4.885800      -1.530200     -0.1248000    
 H    1.036300       1.220600      -1.563000    
 H   0.9417000      0.7671000       1.515100    
 H    1.057600       3.135900      0.8601000    
 H    2.393100       2.839100     -0.3240000    
 H   -1.149000       2.436000     -0.2266000    
 H   -3.307600       1.609600      -1.256900    
 H   -4.269000       1.728200      0.9045000    
 H   -2.593700       1.595300       1.450700    
 H    1.500100      -1.694800      9.2100002E-02
 H    4.131900       1.699100      0.5674000    
 H   -4.505400     -0.2068000       2.213000    
 H   -2.837300     -0.7683000       1.871200    
 H   -3.926400     -0.7212000      -1.823500    
 H    3.463400      -3.135300     -0.3255000    
 H    6.064000      0.2542000      0.1338000    
 H    5.747100      -2.166200     -0.3075000    


%chk=000031743-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031743

0 1
O -1.042529 -0.613686 -0.286166
O -5.110655 -2.027950 -0.411417
N -0.694702 1.659100 -0.675472
N -3.874867 -0.070459 -0.859482
C 0.733623 1.524685 -0.873430
C 1.646404 1.286039 0.338743
C 1.672565 2.637209 -0.393300
C 2.770083 0.289053 0.248762
C -2.997527 0.892286 -0.190001
C -1.497811 0.562952 -0.400909
C -3.400399 0.712441 1.319248
C 2.460231 -1.085963 0.074926
C 4.125189 0.682831 0.374352
C -3.949034 -0.732216 1.402809
C -4.404237 -1.060314 -0.029137
C 3.492866 -2.047934 0.031147
C 5.159184 -0.280879 0.328211
C 4.845210 -1.648971 0.158212
H 1.018548 0.995362 -1.790409
H 1.113519 1.294261 1.298677
H 1.235954 3.500804 0.119104
H 2.529411 2.870103 -1.032305
H -1.130074 2.571065 -0.830147
H -3.207684 1.924841 -0.533242
H -4.192938 1.441024 1.564036
H -2.546188 0.892429 1.991957
H 1.408541 -1.380317 -0.029900
H 4.367824 1.743597 0.512164
H -4.787941 -0.850123 2.106781
H -3.162202 -1.456593 1.677109
H -3.929037 -0.161841 -1.874890
H 3.245040 -3.106876 -0.104285
H 6.204716 0.033174 0.426584
H 5.645815 -2.396633 0.122770


