%chk=000006829.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006829

0 1
 O    1.695000      -2.779800     -5.0000002E-04
 O  -0.3567000      -1.998800     -9.9999997E-05
 N   0.8839000      -1.825000     -3.9999999E-04
 C   0.5345000      0.6102000     -3.0000001E-04
 C  -0.9041000      0.4548000       0.000000    
 C    1.390600     -0.4940000      9.9999997E-05
 C    1.069400       1.900600     -1.9999999E-04
 C   -1.597700      0.3801000      -1.207900    
 C   -1.597400      0.3792000       1.208200    
 C    2.773200     -0.3084000      3.0000001E-04
 C    2.452000       2.086000      9.9999997E-05
 C    3.303700      0.9816000      3.9999999E-04
 C   -2.984500      0.2300000      -1.207800    
 C   -2.984200      0.2291000       1.208100    
 C   -3.677700      0.1545000      9.9999997E-05
 H   0.4220000       2.774800     -3.9999999E-04
 H   -1.072800      0.4370000      -2.158600    
 H   -1.072300      0.4355000       2.158800    
 H    3.472100      -1.141000      3.9999999E-04
 H    2.865300       3.090400      9.9999997E-05
 H    4.380100       1.126600      6.0000003E-04
 H   -3.524500      0.1717000      -2.148300    
 H   -3.524100      0.1699000       2.148600    
 H   -4.757400      3.7400000E-02  1.9999999E-04


%chk=000006829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006829

0 1
O 2.004715 -2.861382 -0.000225
O -0.184819 -2.250487 0.000387
N 1.070875 -1.964909 0.000117
C 0.538645 0.528326 0.000034
C -0.957884 0.381726 0.000042
C 1.490659 -0.531619 0.000145
C 1.063884 1.848886 -0.000118
C -1.674554 0.366617 -1.222721
C -1.674450 0.365194 1.222854
C 2.886285 -0.293043 0.000194
C 2.451722 2.104298 -0.000076
C 3.368894 1.027875 0.000104
C -3.085957 0.312798 -1.221687
C -3.085843 0.311417 1.221877
C -3.796638 0.282958 0.000106
H 0.353627 2.682157 -0.000232
H -1.127618 0.385204 -2.172130
H -1.127433 0.382662 2.172234
H 3.561697 -1.152180 0.000267
H 2.813804 3.137908 -0.000173
H 4.447406 1.214515 0.000158
H -3.628732 0.293558 -2.173340
H -3.628541 0.291107 2.173552
H -4.891343 0.238815 0.000131


