%chk=000004253.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004253

0 1
 O   -2.023100      0.4462000      -1.203500    
 O   -1.794100       3.613600     -0.1179000    
 O   -3.674600      -1.873000     -0.5527000    
 N    3.093700     -0.1595000     -0.5329000    
 C   0.3132000      0.6748000     -0.6323000    
 C    1.319000       1.263500      0.3630000    
 C    2.329600      0.1222000      0.7074000    
 C  -0.9905000       1.457100     -0.8870000    
 C    1.067900      0.3075000      -1.928200    
 C  -0.3151000     -0.5509000     -6.4999998E-02
 C    1.634900      -1.122900       1.361500    
 C    2.272500     -0.6133000      -1.660600    
 C   0.2734000      -1.444400      0.8081000    
 C   -1.502300       2.285300      0.3235000    
 C   0.6617000       1.904700       1.551900    
 C   -1.624000     -0.6565000     -0.4866000    
 C  -0.5923000       2.373700       1.516100    
 C    4.241100      -1.035900     -0.3231000    
 C  -0.4915000      -2.546800       1.190000    
 C   -2.391700      -1.743200     -0.1360000    
 C   -1.807900      -2.702100      0.7044000    
 H    1.878100       2.078300     -0.1229000    
 H    3.046500      0.5181000       1.440000    
 H  -0.8972000       2.098300      -1.772200    
 H    1.426600       1.230700      -2.403000    
 H   0.4064000     -0.1788000      -2.656600    
 H    1.503300     -0.9028000       2.429500    
 H    2.274200      -2.009600       1.306900    
 H    1.923700      -1.641000      -1.499900    
 H    2.883200     -0.6365000      -2.572000    
 H   -2.457100       1.869500      0.6692000    
 H    1.251400       2.043100       2.453600    
 H  -0.9893000       2.856300       2.405800    
 H    3.953200      -2.070800     -0.1126000    
 H    4.864200     -0.6737000      0.5018000    
 H    4.879400      -1.042000      -1.213900    
 H  -8.6700000E-02  -3.285000       1.877100    
 H   -2.385100      -3.569300       1.017200    
 H   -2.179200       4.100300      0.6311000    
 H   -3.893600      -1.107400      -1.112100    


%chk=000004253-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004253

0 1
O -2.197469 0.400552 -1.031374
O -0.892080 3.753139 -0.434279
O -3.848777 -1.990119 -0.257502
N 3.059102 -0.032441 -0.525919
C 0.223184 0.621072 -0.639768
C 1.175272 1.211144 0.442047
C 2.265067 0.127932 0.728417
C -1.078029 1.431995 -0.933020
C 1.043680 0.365565 -1.937055
C -0.349592 -0.662278 -0.062379
C 1.679145 -1.214171 1.311282
C 2.261565 -0.538530 -1.670792
C 0.293557 -1.573313 0.784778
C -1.441938 2.484872 0.141428
C 0.382528 1.658291 1.651588
C -1.707594 -0.753218 -0.370306
C -0.850480 2.217344 1.513484
C 4.328984 -0.758661 -0.353320
C -0.474304 -2.694424 1.206886
C -2.479841 -1.855769 0.034711
C -1.826959 -2.845190 0.813539
H 1.716901 2.077461 0.009986
H 2.966446 0.537184 1.483197
H -1.061385 1.941215 -1.909675
H 1.389216 1.342738 -2.326599
H 0.399129 -0.102038 -2.705445
H 1.617092 -1.124060 2.415304
H 2.407203 -2.028787 1.122555
H 1.919202 -1.590136 -1.507658
H 2.915334 -0.548398 -2.563389
H -2.544882 2.565888 0.193148
H 0.820358 1.520944 2.650693
H -1.429844 2.532372 2.390620
H 4.213243 -1.853992 -0.154650
H 4.897749 -0.319301 0.486289
H 4.937769 -0.652859 -1.269953
H -0.028351 -3.447303 1.867511
H -2.414718 -3.707304 1.144548
H -0.728431 4.387268 0.309499
H -4.155153 -1.206885 -0.781329


