%chk=000039944.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039944

0 1
 O  -0.2313000      -1.413000      0.1397000    
 O    6.892200       1.318100      0.5554000    
 O    4.852800       1.411300       1.539300    
 O   -7.103800     -0.6400000      0.3140000    
 N   0.2007000      0.7641000     -0.3191000    
 C    5.152900     -6.8700001E-02 -0.3806000    
 C    3.724400     -0.4783000     -0.2317000    
 C    1.383400      7.0000000E-02 -0.2338000    
 C    2.715100      0.4842000     -0.3790000    
 C    1.122800      -1.263100      4.7300000E-02
 C    3.417500      -1.814800      5.2299999E-02
 C    2.094400      -2.244500      0.2003000    
 C  -0.7087000     -0.1579000     -9.0999998E-02
 C    5.497200      0.4965000      -1.772700    
 C   -2.139300     -3.2099999E-02 -4.8599999E-02
 C    5.588400      0.9528000      0.6748000    
 C   -2.936100      -1.149700      0.2148000    
 C   -2.742500       1.209200     -0.2694000    
 C   -4.922700      0.2139000      3.6300000E-02
 C   -4.324900      -1.027100      0.2571000    
 C   -4.131400       1.332100     -0.2270000    
 C   -6.370500      0.3417000      8.1100002E-02
 C   -7.030600       1.695100     -0.1594000    
 H    5.791300     -0.9473000     -0.2143000    
 H    2.942300       1.522000     -0.6000000    
 H    4.212300      -2.549500      0.1634000    
 H    1.846300      -3.275500      0.4197000    
 H    5.162700     -0.1863000      -2.561600    
 H    5.022500       1.469200      -1.943400    
 H    6.577600      0.6346000      -1.889300    
 H   -2.508900      -2.133600      0.3925000    
 H   -2.146100       2.094900     -0.4762000    
 H   -4.920300      -1.912500      0.4642000    
 H   -4.555100       2.315600     -0.4044000    
 H    7.151000       1.975400       1.236000    
 H   -6.798300       2.055900      -1.164700    
 H   -6.712200       2.411800      0.6021000    
 H   -8.116800       1.582000     -8.3600000E-02


%chk=000039944-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039944

0 1
O -0.167071 -1.541776 0.156884
O 6.267980 0.745238 1.600906
O 5.326165 2.387603 0.257852
O -7.197394 -0.630442 0.374365
N 0.214696 0.700279 -0.322062
C 5.290470 0.018533 -0.490273
C 3.833375 -0.426453 -0.282435
C 1.458082 0.023873 -0.252638
C 2.772673 0.501718 -0.419391
C 1.225650 -1.351561 0.041624
C 3.565109 -1.796010 0.017723
C 2.250370 -2.291387 0.184482
C -0.709431 -0.225376 -0.081829
C 5.565868 0.429441 -1.960027
C -2.159117 -0.080802 -0.028458
C 5.608514 1.183847 0.444976
C -3.003341 -1.194313 0.242640
C -2.733938 1.200927 -0.251449
C -4.979280 0.256096 0.067587
C -4.395636 -1.022091 0.288886
C -4.128902 1.363822 -0.203127
C -6.477708 0.382867 0.130910
C -7.112877 1.749670 -0.101295
H 5.953586 -0.816045 -0.206149
H 2.962238 1.557986 -0.632882
H 4.407830 -2.487892 0.126370
H 2.053774 -3.341320 0.414380
H 5.304554 -0.400875 -2.638221
H 4.965310 1.312380 -2.235857
H 6.631447 0.681200 -2.106548
H -2.556488 -2.178084 0.413209
H -2.070096 2.046038 -0.458095
H -5.065644 -1.862900 0.495851
H -4.555171 2.357102 -0.376321
H 6.422775 1.521448 2.206254
H -6.850187 2.147359 -1.099251
H -6.763390 2.482674 0.649760
H -8.206493 1.653726 -0.027853


