%chk=000033496.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033496

0 1
 O    1.598200      0.9868000       2.284400    
 O  -0.6054000     -0.1271000      -1.709800    
 O   0.9286000       4.136500     -0.9847000    
 N    1.175400       2.582300      0.6913000    
 N   7.4100003E-02   2.026100      -1.303700    
 C  -3.6699999E-02  0.4523000      0.5751000    
 C   0.3144000      -1.026600      0.7939000    
 C   -1.392000      0.7567000       1.238200    
 C    1.004100       1.330300       1.262700    
 C  -0.1989000      0.7224000     -0.9174000    
 C    1.664000      -1.352900      0.2275000    
 C   -2.493000     -6.1700001E-02  0.6297000    
 C   0.7248000       2.999700     -0.5554000    
 C    1.773100      -1.781300      -1.091300    
 C   -3.198900      0.4360000     -0.4597000    
 C    2.795800      -1.225000       1.025600    
 C   -2.797400      -1.309600       1.161400    
 C    3.028500      -2.085300      -1.618000    
 C   -4.222700     -0.3244000      -1.025100    
 C    4.051200      -1.528900      0.4990000    
 C   -3.821000      -2.070100      0.5962000    
 C    4.167400      -1.959100     -0.8228000    
 C   -4.533700      -1.577400     -0.4971000    
 H  -0.3968000      -1.709800      0.3168000    
 H   0.3010000      -1.283100       1.862200    
 H   -1.643600       1.823000       1.148200    
 H   -1.345700      0.5707000       2.320400    
 H    1.758400       3.239000       1.202900    
 H  -0.1553000       2.272800      -2.262500    
 H   0.9032000      -1.940000      -1.718600    
 H   -2.980600       1.416800     -0.8731000    
 H    2.735800     -0.9725000       2.078200    
 H   -2.261500      -1.701400       2.021500    
 H    3.118100      -2.432700      -2.643100    
 H   -4.780000      6.0800001E-02  -1.874000    
 H    4.936400      -1.449400       1.123400    
 H   -4.065400      -3.044300       1.009300    
 H    5.144100      -2.202700      -1.230700    
 H   -5.331700      -2.168900     -0.9363000    


%chk=000033496-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033496

0 1
O 1.098442 1.058704 2.549439
O -0.651795 0.240762 -1.908728
O 1.742942 4.087788 -0.912022
N 1.390949 2.534647 0.799877
N 0.450323 2.185128 -1.336579
C -0.090278 0.523083 0.469444
C 0.299007 -0.990103 0.587218
C -1.546051 0.780831 1.093596
C 0.851530 1.362396 1.352768
C -0.115632 0.935369 -1.008044
C 1.706241 -1.316854 0.096154
C -2.667023 -0.120101 0.605826
C 1.228906 3.014763 -0.512499
C 1.933348 -1.678817 -1.258496
C -3.453870 0.225895 -0.522781
C 2.812944 -1.281181 0.985726
C -2.983693 -1.310437 1.312677
C 3.235018 -1.987579 -1.713924
C -4.519388 -0.599683 -0.942067
C 4.114732 -1.590429 0.531024
C -4.048351 -2.139790 0.896285
C 4.331217 -1.942396 -0.821507
C -4.819463 -1.787095 -0.235263
H -0.450603 -1.555094 0.008250
H 0.194516 -1.263067 1.652323
H -1.804815 1.842591 0.914433
H -1.410487 0.654203 2.183499
H 1.983607 3.106805 1.410587
H 0.374507 2.481053 -2.315579
H 1.085200 -1.722822 -1.951748
H -3.229111 1.142083 -1.081399
H 2.649277 -1.014673 2.036598
H -2.401795 -1.582066 2.202303
H 3.391803 -2.270046 -2.761165
H -5.114855 -0.317394 -1.817278
H 4.956606 -1.562895 1.232167
H -4.279679 -3.052798 1.456142
H 5.340020 -2.185822 -1.173643
H -5.647946 -2.426956 -0.559014


