%chk=000020628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020628

0 1
 O  -0.9486000       2.452400      -1.671200    
 O   -1.454300       2.348600      0.4624000    
 N  -0.5991000     -0.3142000     -0.5937000    
 N   -5.462200     -0.4096000      6.1900001E-02
 N    3.477400     -0.2415000      0.3751000    
 N  -0.6187000       2.338200     -0.4693000    
 C   0.7822000     -0.2572000     -0.2639000    
 C   -1.619900     -0.4018000      0.3958000    
 C   -3.004200     -0.3657000     -0.2509000    
 C    1.436700      0.9600000     -4.9600001E-02
 C   -4.171800     -0.3988000      0.7401000    
 C    1.476700      -1.466500     -0.1585000    
 C    2.803900      0.9205000      0.2723000    
 C    2.842200      -1.411100      0.1677000    
 C   0.7635000       2.190100     -0.1490000    
 C   0.8441000      -2.704200     -0.3687000    
 C    3.461200       2.129000      0.4867000    
 C    3.539100      -2.611800      0.2741000    
 C    1.443700       3.384300      7.0100002E-02
 C    2.795300       3.353300      0.3887000    
 C   -6.533600     -3.2299999E-02  0.9857000    
 C   -5.730700      -1.728000     -0.5152000    
 C    1.563400      -3.890300     -0.2563000    
 C    2.913700      -3.843500      6.5800004E-02
 H   -3.064700      -1.214800     -0.9420000    
 H   -3.094800      0.5336000     -0.8739000    
 H   -1.532300      -1.377600      0.8932000    
 H   -1.518700      0.3058000       1.219900    
 H  -0.7841000     -0.7883000      -1.474100    
 H   -4.085800      0.5045000       1.358800    
 H   -4.069200      -1.252300       1.423000    
 H  -0.2078000      -2.787000     -0.6279000    
 H    4.520400       2.131200      0.7376000    
 H    4.598200      -2.601600      0.5254000    
 H   0.9400000       4.345300     -2.3000001E-03
 H    3.335800       4.279300      0.5618000    
 H   -7.499300     -1.1600000E-02  0.4681000    
 H   -6.610300     -0.7235000       1.833000    
 H   -6.369000      0.9780000       1.376700    
 H   -5.016400      -1.983000      -1.303300    
 H   -5.716900      -2.522900      0.2396000    
 H   -6.716300      -1.737800     -0.9956000    
 H    1.073200      -4.845000     -0.4206000    
 H    3.484400      -4.763200      0.1556000    


%chk=000020628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020628

0 1
O -0.943218 1.091687 -1.816064
O -1.820226 2.671527 -0.415118
N -0.589359 -1.194238 -0.061296
N -5.501332 -0.130638 0.005191
N 3.500252 -0.190729 0.496294
N -0.878564 1.847107 -0.769275
C 0.718056 -0.766270 -0.106244
C -1.727088 -0.625666 0.693460
C -3.045757 -0.669754 -0.108006
C 1.148064 0.590777 0.145528
C -4.181089 0.052245 0.650875
C 1.760412 -1.743707 -0.376799
C 2.541048 0.779985 0.556955
C 3.133067 -1.397746 -0.050994
C 0.353578 1.792827 0.051411
C 1.494028 -3.048715 -0.907371
C 2.955276 2.061434 1.072103
C 4.165924 -2.375613 -0.257601
C 0.785992 3.030259 0.536406
C 2.090547 3.151417 1.100998
C -6.449539 0.954183 0.331550
C -6.088560 -1.462614 0.246183
C 2.521622 -3.971609 -1.114382
C 3.871961 -3.633464 -0.778810
H -3.322443 -1.727032 -0.295412
H -2.904965 -0.187912 -1.090474
H -1.846372 -1.209252 1.632572
H -1.494426 0.402459 1.005717
H -0.746230 -2.161315 -0.351632
H -3.951462 1.134275 0.658146
H -4.198558 -0.285934 1.723011
H 0.479833 -3.335694 -1.213646
H 3.992427 2.133388 1.412809
H 5.185891 -2.079554 0.005276
H 0.134779 3.900227 0.416156
H 2.423681 4.118851 1.488856
H -7.380227 0.817823 -0.248370
H -6.725199 0.997324 1.416711
H -6.011405 1.927147 0.048741
H -5.401491 -2.256334 -0.094781
H -6.323792 -1.650119 1.326525
H -7.025624 -1.563038 -0.329964
H 2.295867 -4.953747 -1.542899
H 4.671020 -4.365246 -0.939236


