%chk=000039682.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039682

0 1
 O   0.3264000      -1.966500     -0.1082000    
 O   -1.896900      -2.475000     -0.1617000    
 O   -2.932100       1.382700      0.2035000    
 O   -3.503800     -0.7354000      9.1000004E-03
 N  -0.6613000       2.136600      0.2684000    
 N   -2.676100      0.1787000      9.0899996E-02
 C    1.032400      0.3735000      9.7199999E-02
 C  -0.3908000      0.7984000      0.1419000    
 C    1.336600     -0.9874000     -2.3900000E-02
 C   -1.296700     -0.1900000      5.2700002E-02
 C    2.121500       1.258700      0.1676000    
 C    2.649200      -1.466900     -7.1900003E-02
 C   -1.015800      -1.627200     -8.1000000E-02
 C    3.442300      0.7928000      0.1201000    
 C    3.705800     -0.5683000      7.9999998E-04
 C  -0.2407000       3.095400     -0.7054000    
 H    1.989000       2.327300      0.2980000    
 H   -1.525600       2.370400      0.7465000    
 H    2.847500      -2.530600     -0.1658000    
 H    4.265200       1.499400      0.1853000    
 H    4.730600     -0.9251000     -3.3599999E-02
 H   0.4122000       3.845800     -0.2497000    
 H   -1.115200       3.626600      -1.096800    
 H   0.2716000       2.649800      -1.565300    


%chk=000039682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039682

0 1
O 0.345066 -1.990396 -0.038441
O -1.773185 -2.641559 0.518187
O -3.189905 1.337756 0.178648
O -3.683130 -0.861835 -0.080650
N -0.788286 2.085220 -0.125906
N -2.809753 0.061861 0.073888
C 1.025528 0.380244 0.005932
C -0.389748 0.790492 0.003114
C 1.328430 -1.011470 -0.077904
C -1.392086 -0.247191 0.120679
C 2.134694 1.275038 0.120027
C 2.656866 -1.486511 -0.164204
C -1.057846 -1.670536 0.242157
C 3.457912 0.810471 0.066100
C 3.721890 -0.574112 -0.103975
C -0.054135 3.275456 -0.571229
H 1.969072 2.338614 0.286088
H -1.831671 2.167473 0.000763
H 2.817268 -2.564909 -0.247225
H 4.285598 1.519692 0.162159
H 4.753531 -0.935999 -0.161057
H 0.456665 3.794466 0.261874
H -0.791706 3.976448 -0.996128
H 0.684229 3.034987 -1.354197


