%chk=000044938.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044938

0 1
 O   -1.196200      8.4100001E-02 -0.7164000    
 O    1.187700     -3.0200001E-02  0.7093000    
 O   -2.345300      6.5300003E-02   1.293200    
 O    2.348500     -0.1336000      -1.289700    
 N   -2.604500       1.852300     -0.1727000    
 N    2.778700       1.622800      0.1731000    
 C  -0.6445000      -1.148200     -0.3509000    
 C   0.5370000      -1.173400      0.3552000    
 C   -1.315600      -2.293900     -0.7168000    
 C    1.076200      -2.408700      0.7144000    
 C  -0.7763000      -3.529200     -0.3576000    
 C   0.4196000      -3.586600      0.3580000    
 C   -2.074700      0.6211000      0.2293000    
 C    2.132300      0.4479000     -0.2270000    
 C   -3.540700       2.561900      0.6874000    
 C   -2.274200       2.504900      -1.435500    
 C    3.779700       2.236600     -0.6877000    
 C    2.512300       2.306800       1.434300    
 H   -2.246000      -2.249300      -1.274300    
 H    2.007200      -2.460900       1.272500    
 H   -1.287600      -4.446300     -0.6352000    
 H   0.8394000      -4.548400      0.6377000    
 H   -3.116300       3.538000      0.9398000    
 H   -3.738900       2.011100       1.610200    
 H   -4.481200       2.699600      0.1462000    
 H   -1.833400       3.482200      -1.217800    
 H   -3.195600       2.640700      -2.009300    
 H   -1.568300       1.926700      -2.034500    
 H    3.924300       1.667400      -1.609300    
 H    4.728800       2.283800     -0.1459000    
 H    3.452000       3.248700     -0.9423000    
 H    3.441300       2.353300       2.009900    
 H    1.752800       1.796300       2.029500    
 H    2.166800       3.321400       1.215300    


%chk=000044938-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044938

0 1
O -1.285810 -0.193015 -0.691488
O 1.260948 -0.310329 0.687495
O -1.669011 0.482491 1.549724
O 1.690081 0.335077 -1.554777
N -1.892570 1.978407 -0.256532
N 2.072474 1.793321 0.255173
C -0.708033 -1.427094 -0.304133
C 0.570847 -1.485944 0.301309
C -1.396427 -2.614171 -0.615416
C 1.145837 -2.730862 0.616696
C -0.816274 -3.865039 -0.308970
C 0.451482 -3.923227 0.314707
C -1.618901 0.761516 0.327517
C 1.677409 0.611319 -0.330880
C -2.429204 3.057478 0.586797
C -1.759693 2.243015 -1.700021
C 2.696058 2.822478 -0.590691
C 1.983401 2.061502 1.701428
H -2.379567 -2.539620 -1.090015
H 2.131515 -2.746792 1.091576
H -1.355466 -4.786650 -0.551194
H 0.902197 -4.890298 0.560389
H -1.765869 3.942988 0.553782
H -2.500537 2.698073 1.624302
H -3.435450 3.359689 0.237533
H -1.357117 3.262817 -1.843764
H -2.738993 2.176633 -2.213834
H -1.070194 1.517339 -2.152380
H 2.722200 2.462536 -1.630127
H 3.729593 3.029982 -0.252295
H 2.116423 3.764460 -0.546724
H 2.956912 1.894354 2.203167
H 1.230081 1.406114 2.159308
H 1.686958 3.115653 1.854741


