%chk=000036876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036876

0 1
 O    1.717200      2.3200000E-02  0.5427000    
 O   -1.673800       1.127900      0.7357000    
 O   0.7756000       2.108900      0.2386000    
 O   -6.637400     -0.7665000     -0.7798000    
 N    5.378600     -5.5599999E-02  0.1261000    
 C    4.032300     -0.5594000      0.3956000    
 C    6.383800     -0.9576000      0.6869000    
 C    5.584500      0.1082000      -1.312400    
 C    3.009200      0.5602000      0.2909000    
 C    6.311000      -2.330600      4.0600002E-02
 C    6.956900      0.6891000      -1.608000    
 C   0.6785000      0.9142000      0.4847000    
 C  -0.6126000      0.1945000      0.7730000    
 C   -2.908400      0.6568000      0.3588000    
 C   -3.262600     -0.6651000      0.6291000    
 C   -3.807200       1.500400     -0.2938000    
 C   -5.414900     -0.2996000     -0.4060000    
 C   -4.515900      -1.143200      0.2466000    
 C   -5.060400       1.022100     -0.6764000    
 C   -6.934200      -2.128000     -0.4730000    
 H    3.739600      -1.380100     -0.2724000    
 H    3.961200     -0.9629000       1.415100    
 H    7.395800     -0.5465000      0.6089000    
 H    6.216200      -1.060300       1.767100    
 H    5.418600     -0.8044000      -1.895900    
 H    4.865500      0.8383000      -1.700600    
 H    3.002300       1.009300     -0.7073000    
 H    3.227700       1.341200       1.029600    
 H    7.027000      -2.990100      0.5465000    
 H    6.601000      -2.330500      -1.013600    
 H    5.335400      -2.813700      0.1431000    
 H    6.998100       1.018400      -2.652500    
 H    7.760300     -4.2300001E-02  -1.478600    
 H    7.169900       1.563800     -0.9837000    
 H  -0.7171000     -0.5766000     -3.0000001E-04
 H  -0.5523000     -0.2480000       1.772700    
 H   -2.600300      -1.344300       1.157800    
 H   -3.536300       2.530800     -0.5071000    
 H   -4.728700      -2.178100      0.4922000    
 H   -5.756300       1.683900      -1.184800    
 H   -7.945100      -2.329600     -0.8423000    
 H   -6.948200      -2.302900      0.6082000    
 H   -6.260000      -2.814700     -0.9961000    


%chk=000036876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036876

0 1
O 1.741077 -0.076047 0.173578
O -1.689182 1.030884 -0.140793
O 0.870936 2.089517 0.032375
O -7.097197 -0.553977 -0.150227
N 5.483775 -0.219156 0.051931
C 4.088036 -0.713624 0.099652
C 6.444895 -1.004725 0.864454
C 5.932421 0.127478 -1.321024
C 3.130021 0.479995 0.212124
C 6.770327 -2.434432 0.350919
C 7.189841 1.016005 -1.345290
C 0.704324 0.858857 0.095383
C -0.615228 0.091726 0.121314
C -3.003565 0.515639 -0.118705
C -3.343276 -0.834332 0.120003
C -4.022993 1.471859 -0.361898
C -5.717733 -0.276778 -0.124279
C -4.704505 -1.231317 0.117599
C -5.368627 1.078825 -0.364873
C -7.506868 -1.935792 0.097326
H 3.810402 -1.325716 -0.789514
H 3.956929 -1.360483 0.986060
H 7.381975 -0.424032 0.948224
H 6.033159 -1.070351 1.889760
H 6.107405 -0.783801 -1.946904
H 5.105614 0.679270 -1.807249
H 3.248767 1.196075 -0.620276
H 3.274329 1.022367 1.162189
H 7.462119 -2.941721 1.048942
H 7.253459 -2.410993 -0.642747
H 5.855989 -3.051547 0.272183
H 7.405769 1.339915 -2.379864
H 8.083126 0.483849 -0.971826
H 7.034630 1.913136 -0.720541
H -0.576942 -0.713998 -0.640060
H -0.726178 -0.385431 1.118235
H -2.575824 -1.591561 0.307359
H -3.734443 2.511278 -0.543489
H -4.948649 -2.281229 0.304830
H -6.168365 1.802047 -0.549647
H -8.604920 -1.927701 0.032399
H -7.196249 -2.275600 1.105418
H -7.094081 -2.623779 -0.667152


