%chk=000006971.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006971

0 1
 O   -2.501200      -2.056900      0.5530000    
 O    3.032600       1.091700      7.1099997E-02
 O  -0.5525000      -2.499800     -0.5298000    
 N    1.265800     -0.4675000      2.2399999E-02
 C   0.1199000      0.3326000     -5.5000000E-03
 C   -1.153200     -0.2365000     -3.9200000E-02
 C   0.2637000       1.720100     -5.0000002E-04
 C   -2.282400      0.5820000     -6.8099998E-02
 C  -0.8654000       2.538500     -2.9200001E-02
 C   -2.138400       1.969500     -6.3000001E-02
 C    2.603600     -5.7399999E-02  5.6200001E-02
 C   -1.339200      -1.682200     -4.6000000E-02
 C    3.546600      -1.234200      7.8599997E-02
 H    1.209800       2.240800      2.4100000E-02
 H   -3.287700      0.1710000     -0.1087000    
 H    1.107300      -1.471800      2.0000000E-02
 H  -0.7550000       3.619200     -2.6300000E-02
 H   -3.017200       2.607100     -8.8699996E-02
 H    3.378100      -1.825300      0.9831000    
 H    4.581200     -0.8802000      7.2499998E-02
 H    3.381400      -1.859700     -0.8032000    
 H   -2.619000      -3.030800      0.5446000    


%chk=000006971-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006971

0 1
O -2.644807 -2.107863 0.109207
O 3.063068 1.107989 -0.027129
O -0.377824 -2.538053 0.106470
N 1.289004 -0.446601 0.034014
C 0.153912 0.388731 0.014657
C -1.157976 -0.214952 0.040577
C 0.253553 1.808977 -0.030228
C -2.314288 0.614590 0.021034
C -0.909775 2.599305 -0.048487
C -2.200489 2.012425 -0.023194
C 2.643803 -0.084982 0.015713
C -1.316108 -1.678888 0.086314
C 3.583534 -1.288130 0.052377
H 1.246699 2.260194 -0.049858
H -3.295173 0.132633 0.041101
H 1.058537 -1.457771 0.066206
H -0.807397 3.689819 -0.082934
H -3.097016 2.639744 -0.037994
H 3.457109 -1.858637 0.990917
H 4.620755 -0.929704 -0.011734
H 3.384611 -1.976591 -0.789255
H -2.654930 -3.102036 0.139626


