%chk=000046409.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046409

0 1
 O   -1.983800      0.1658000       1.856900    
 O    3.800100     -0.3495000     -0.3464000    
 N   -4.005200      0.3644000     -0.1488000    
 C   -1.770100     -0.3930000      0.5577000    
 C   -2.579000      0.3957000     -0.4967000    
 C  -0.2760000     -0.3762000      0.3154000    
 C   -2.424100     -0.1787000      -1.906100    
 C   0.3806000      0.8388000      0.2289000    
 C   0.3998000      -1.576700      0.1857000    
 C    1.757400      0.8538000      5.5000000E-03
 C    2.455400     -0.3463000     -0.1277000    
 C    1.776600      -1.561600     -3.7599999E-02
 C    2.468100       2.163400     -8.6800002E-02
 H   -2.130600      -1.428400      0.6008000    
 H   -2.282900       1.450600     -0.5094000    
 H   -1.392100     -8.8699996E-02  -2.260200    
 H   -2.702800      -1.238000      -1.941600    
 H   -3.057700      0.3603000      -2.619900    
 H  -0.1593000       1.774400      0.3433000    
 H  -0.1177000      -2.529000      0.2534000    
 H   -4.133400      0.7170000      0.7989000    
 H   -4.334900     -0.6004000     -0.1359000    
 H    2.307700      -2.504200     -0.1397000    
 H   -2.179700       1.112900       1.759600    
 H    2.955600       2.263800      -1.062200    
 H    1.783200       3.010500      2.6799999E-02
 H    3.223500       2.242200      0.7021000    
 H    4.109000      -1.269400     -0.4118000    


%chk=000046409-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046409

0 1
O -2.182931 0.573156 1.722744
O 3.845577 -0.233048 -0.403786
N -4.082375 0.515962 -0.286049
C -1.831350 -0.275780 0.556076
C -2.657044 0.341513 -0.623171
C -0.331634 -0.296529 0.321499
C -2.525951 -0.500650 -1.904097
C 0.410094 0.916443 0.302013
C 0.355732 -1.512797 0.098803
C 1.800613 0.947022 0.060306
C 2.456627 -0.295482 -0.167603
C 1.745721 -1.516560 -0.148589
C 2.592176 2.237303 0.039688
H -2.195724 -1.314110 0.730366
H -2.230788 1.348058 -0.806554
H -1.472041 -0.610074 -2.210806
H -2.946390 -1.515805 -1.754660
H -3.088158 -0.017182 -2.720933
H -0.115738 1.859906 0.490319
H -0.193669 -2.461863 0.116426
H -4.202095 0.991165 0.616916
H -4.607978 -0.367076 -0.313590
H 2.272183 -2.465077 -0.319408
H -1.570008 0.351873 2.468187
H 3.085149 2.385831 -0.938709
H 1.941081 3.104697 0.240398
H 3.400901 2.220617 0.793301
H 4.215719 -1.138016 -0.554889


