%chk=000079182.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079182

0 1
 O    5.696200     -0.8724000      0.2318000    
 O    1.650200       1.963100      8.8000000E-03
 N    3.141600      0.2056000     -0.2697000    
 C   -1.825400     -0.4080000     -0.1433000    
 C  -0.6186000      0.5314000     -3.9700001E-02
 C   -3.138000      0.3575000      4.1900001E-02
 C   0.7096000     -0.2039000     -0.1909000    
 C   -4.380700     -0.5340000     -3.9099999E-02
 C    3.432200      -1.198900     -0.5766000    
 C    4.322300       1.068100     -0.2284000    
 C    1.869100      0.7586000     -0.1420000    
 C   -5.691500      0.2270000      0.1716000    
 C    4.545500      -1.716200      0.3256000    
 C    5.394300      0.4573000      0.6628000    
 C   -6.899700     -0.6963000      8.0000004E-03
 C   -8.206900      6.1299998E-02  0.1791000    
 H   -1.823500     -0.9047000      -1.120800    
 H   -1.747300      -1.191800      0.6196000    
 H  -0.6443000       1.048000      0.9283000    
 H  -0.7048000       1.306200     -0.8125000    
 H   -3.126400      0.8636000       1.015300    
 H   -3.210500       1.142100     -0.7215000    
 H   0.8174000     -0.9345000      0.6183000    
 H   0.7251000     -0.7281000      -1.152900    
 H   -4.302000      -1.330200      0.7116000    
 H   -4.399800      -1.025200      -1.020000    
 H    2.552200      -1.836700     -0.4821000    
 H    3.755000      -1.223400      -1.624100    
 H    4.686500       1.146100      -1.259600    
 H    4.064900       2.073500      0.1180000    
 H   -5.699100      0.6763000       1.171900    
 H   -5.756500       1.048100     -0.5525000    
 H    4.219800      -1.767700       1.371500    
 H    4.841500      -2.723600      1.7000001E-02
 H    5.077000      0.4338000       1.712200    
 H    6.314100       1.047400      0.6036000    
 H   -6.882900      -1.160700     -0.9849000    
 H   -6.852000      -1.505700      0.7459000    
 H   -9.057000     -0.6177000      5.9999999E-02
 H   -8.270300      0.5140000       1.173800    
 H   -8.300100      0.8565000     -0.5673000    


%chk=000079182-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079182

0 1
O 5.747249 -0.962748 0.347874
O 1.830129 2.015030 0.185281
N 3.207607 0.217332 -0.323802
C -1.823551 -0.331783 -0.144236
C -0.604177 0.613396 -0.072088
C -3.171027 0.407616 0.015880
C 0.728394 -0.140970 -0.249412
C -4.394543 -0.534908 -0.037096
C 3.486832 -1.191584 -0.666789
C 4.421822 1.059908 -0.232303
C 1.949098 0.784101 -0.111964
C -5.744121 0.201790 0.117861
C 4.522751 -1.775206 0.320510
C 5.426833 0.424446 0.744205
C -6.965770 -0.744475 0.070921
C -8.310881 -0.002725 0.227600
H -1.820013 -0.874490 -1.113645
H -1.738530 -1.107665 0.646384
H -0.592489 1.148146 0.895738
H -0.685444 1.398126 -0.847854
H -3.173469 0.958638 0.979371
H -3.264025 1.175782 -0.779906
H 0.795935 -0.952896 0.504783
H 0.746098 -0.638530 -1.240931
H -4.301986 -1.300261 0.762200
H -4.389044 -1.089443 -0.999254
H 2.563578 -1.790566 -0.635042
H 3.900791 -1.244659 -1.695167
H 4.884825 1.144170 -1.236378
H 4.108278 2.062877 0.102887
H -5.750620 0.759215 1.078019
H -5.841369 0.964207 -0.683357
H 4.079650 -1.826946 1.339551
H 4.843719 -2.782226 0.005961
H 5.010671 0.431600 1.774539
H 6.389743 0.960293 0.730421
H -6.958177 -1.300747 -0.888918
H -6.866381 -1.506072 0.871452
H -9.167101 -0.701315 0.189316
H -8.356452 0.535241 1.193447
H -8.447635 0.744104 -0.577359


