%chk=000028699.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028699

0 1
 O   -2.975800     -0.7303000     -0.4223000    
 O   -2.989400       1.396300      0.5176000    
 N    4.454900      0.8527000      6.2600002E-02
 N    2.572000     -0.5495000     -0.4848000    
 N   -4.974700      0.2834000      6.7800000E-02
 C   0.5000000      -1.109600      0.6554000    
 C    1.168000     -0.6008000     -0.4553000    
 C  -0.8942000      -1.153100      0.6666000    
 C   -1.615400     -0.6877000     -0.4329000    
 C   0.4518000     -0.1353000      -1.554900    
 C  -0.9424000     -0.1787000      -1.543600    
 C    1.249900      -1.613400       1.845100    
 C    3.111000      0.5368000     -2.6699999E-02
 C    4.891600       2.129100      0.6106000    
 C    5.482700     -0.1590000     -0.1385000    
 C   -3.602000      0.4189000      9.7800002E-02
 C   -5.887900       1.300000      0.5356000    
 H   -1.428200      -1.547400       1.527900    
 H   0.9670000      0.2622000      -2.425400    
 H   -1.498200      0.1847000      -2.403700    
 H    2.007300      -2.344900       1.544100    
 H    1.736700     -0.7836000       2.367600    
 H   0.5884000      -2.114000       2.560500    
 H    2.477400       1.365500      0.3421000    
 H    5.867500       2.421300      0.2093000    
 H    4.185300       2.927600      0.3596000    
 H    4.968200       2.062800       1.700400    
 H    5.572500     -0.7849000      0.7549000    
 H    5.238500     -0.8006000     -0.9916000    
 H    6.458700      0.2937000     -0.3420000    
 H   -5.364200     -0.5775000     -0.3038000    
 H   -5.352500       2.176600      0.9078000    
 H   -6.496500      0.8699000       1.334700    
 H   -6.534900       1.586300     -0.2971000    


%chk=000028699-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028699

0 1
O -2.964138 0.499677 -0.531413
O -3.913041 -0.607665 1.363875
N 4.849672 0.608186 -0.115863
N 2.626828 -0.145655 0.197681
N -5.200141 0.415748 -0.312753
C 0.351076 -0.565997 0.985485
C 1.232037 0.042027 0.033604
C -1.048789 -0.430367 0.836027
C -1.575777 0.298393 -0.255735
C 0.669934 0.752901 -1.067047
C -0.723303 0.885891 -1.213111
C 0.924126 -1.340012 2.155692
C 3.480294 0.800202 -0.116707
C 5.775438 1.722602 -0.333628
C 5.426072 -0.702730 0.208049
C -4.021267 0.033230 0.289421
C -6.505532 0.099214 0.268570
H -1.723117 -0.884534 1.563721
H 1.332200 1.168067 -1.836087
H -1.160153 1.421077 -2.061693
H 1.621667 -2.120685 1.801665
H 1.512530 -0.680980 2.821467
H 0.124352 -1.812048 2.751245
H 3.181626 1.831842 -0.388460
H 6.476908 1.495729 -1.160425
H 5.213293 2.634706 -0.597060
H 6.373952 1.935312 0.575649
H 5.984766 -0.666609 1.164666
H 4.599083 -1.423027 0.303222
H 6.118757 -1.029836 -0.591376
H -5.130568 0.934719 -1.187926
H -6.333321 -0.468296 1.196819
H -7.111781 -0.520945 -0.417658
H -7.070585 1.017363 0.515484


