%chk=000004227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004227

0 1
 O   -5.231900       2.499000       1.004200    
 O   -3.976500      -2.592900      0.2141000    
 O   -5.069100       1.834900      -1.164200    
 N   -2.597100      -2.401200      0.2979000    
 C  -0.7952000     -0.8590000     -8.1900001E-02
 C   -3.241500     -0.1786000     -0.6234000    
 C    1.872600     -0.1989000     -2.6900001E-02
 C   -2.246300      -1.217800     -0.1130000    
 C  -0.4485000      0.4580000      0.1071000    
 C   0.1324000      -1.860600     -0.2448000    
 C    3.276900      0.1487000      2.2000000E-03
 C   -3.816600      0.6448000      0.5233000    
 C   0.9053000      0.7929000      0.1350000    
 C    1.486200      -1.525500     -0.2169000    
 C    3.934300      0.4921000      -1.179000    
 C    3.973100      0.1398000       1.210800    
 C   -4.757600       1.704700      1.2300000E-02
 C    5.288100      0.8268000      -1.151700    
 C    5.326900      0.4746000       1.238100    
 C    5.984500      0.8182000      5.6899998E-02
 H   -2.744400      0.4726000      -1.353000    
 H   -4.039900     -0.6755000      -1.187000    
 H   -1.160600       1.262500      0.2267000    
 H  -0.1488000      -2.897000     -0.4029000    
 H   -4.384500     -8.5000005E-03   1.195700    
 H   -3.040100       1.131700       1.117500    
 H    1.190000       1.832400      0.2817000    
 H    2.227600      -2.310600     -0.3468000    
 H    3.406600      0.5039000      -2.129800    
 H    3.475800     -0.1256000       2.140800    
 H    5.800200       1.094300      -2.071400    
 H    5.869200      0.4677000       2.179100    
 H    7.038600       1.078800      7.8199998E-02
 H   -5.846200       3.183500      0.6631000    
 H   -4.068700      -3.500300      0.5503000    


%chk=000004227-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004227

0 1
O -5.639601 2.335319 0.952497
O -4.088943 -2.527347 0.392209
O -5.102221 2.009711 -1.282674
N -2.635159 -2.325451 0.440081
C -0.855263 -0.823804 -0.074814
C -3.335909 -0.190465 -0.653149
C 1.954561 -0.184854 -0.023784
C -2.306325 -1.153524 -0.088628
C -0.389098 0.473516 -0.424276
C 0.115886 -1.797453 0.302846
C 3.407624 0.142635 -0.000717
C -3.993359 0.649491 0.469400
C 0.984734 0.783889 -0.396501
C 1.483421 -1.484068 0.325219
C 3.961781 1.079308 -0.917715
C 4.282337 -0.472532 0.938279
C -4.937251 1.698418 -0.082745
C 5.337575 1.390789 -0.896251
C 5.658584 -0.162674 0.960379
C 6.194439 0.771232 0.043124
H -2.887347 0.472514 -1.409275
H -4.125795 -0.772811 -1.158411
H -1.096834 1.259130 -0.708213
H -0.224132 -2.803803 0.563621
H -4.553150 -0.002668 1.162927
H -3.233137 1.172132 1.082377
H 1.304724 1.803339 -0.638759
H 2.205284 -2.266824 0.583850
H 3.316823 1.542360 -1.673044
H 3.876702 -1.173990 1.676037
H 5.743197 2.108625 -1.618037
H 6.311226 -0.642406 1.698419
H 7.263098 1.012000 0.059875
H -6.241036 3.026525 0.562130
H -4.182636 -3.436359 0.776024


