%chk=000044169.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044169

0 1
 O   0.9793000       2.017800     -0.3387000    
 O    4.791300      -2.333600     -0.4698000    
 O   -5.810300      -1.295800      0.2215000    
 O   -5.964500      0.9084000     -0.2705000    
 N   0.3704000     -0.2029000      0.1366000    
 N    4.422200      -1.143900     -0.2040000    
 C   -1.023900     -0.1703000      9.4200000E-02
 C    2.705200      0.4979000      1.1200000E-02
 C    1.264700      0.8548000     -7.4500002E-02
 C   -1.685900       1.024900     -0.1867000    
 C   -1.755700      -1.333400      0.3330000    
 C   -3.811600     -0.1062000      9.8999999E-03
 C   -3.079800       1.057000     -0.2289000    
 C   -3.149600      -1.301400      0.2908000    
 C    3.088700     -0.7902000     -0.2773000    
 C    3.614800       1.461200      0.3755000    
 C    4.959700       1.116100      0.4522000    
 C    5.349600     -0.1869000      0.1605000    
 C   -5.264700     -7.3600002E-02 -3.4899998E-02
 H   0.7521000      -1.110800      0.3868000    
 H   -1.191300       1.965700     -0.3824000    
 H   -1.252700      -2.271900      0.5529000    
 H   -3.578700       1.997200     -0.4496000    
 H   -3.678600      -2.230700      0.4828000    
 H    2.450400      -1.597900     -0.6023000    
 H    3.315900       2.478300      0.6100000    
 H    5.700300       1.856000      0.7387000    
 H    6.372300     -0.5326000      0.1974000    
 H   -6.790500      -1.271200      0.1905000    


%chk=000044169-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044169

0 1
O 0.966166 2.102882 -0.243475
O 4.894850 -2.408381 -0.562577
O -5.932857 -1.372584 0.234579
O -6.077946 0.874020 -0.339036
N 0.367452 -0.136394 0.160431
N 4.513679 -1.174817 -0.241183
C -1.050450 -0.081477 0.099396
C 2.739231 0.480767 0.035626
C 1.288237 0.895582 -0.037035
C -1.770791 1.101862 -0.226506
C -1.756409 -1.286329 0.378248
C -3.882374 -0.139739 0.003986
C -3.175028 1.058582 -0.272096
C -3.158295 -1.316053 0.331824
C 3.165480 -0.816586 -0.299618
C 3.692316 1.460431 0.414469
C 5.052400 1.086100 0.470628
C 5.450903 -0.217087 0.150162
C -5.363428 -0.119711 -0.059441
H 0.755309 -1.043835 0.430925
H -1.226507 2.024827 -0.429698
H -1.201795 -2.199419 0.629374
H -3.747803 1.957646 -0.521783
H -3.703896 -2.238791 0.544956
H 2.526660 -1.618974 -0.673956
H 3.354663 2.474334 0.640270
H 5.821826 1.805592 0.763986
H 6.479593 -0.578544 0.168143
H -6.922087 -1.291904 0.174303


