%chk=000140037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000140037

0 1
 O    4.299300      0.3026000     -0.4955000    
 O   -4.582300     -0.4505000      -1.144800    
 O    3.614500      -1.828000      5.5999998E-03
 O   -4.314500     -0.1679000       1.129300    
 N    1.824300       1.324800     -9.4899997E-02
 C  -8.9800000E-02  0.4110000      0.4904000    
 C   0.8721000     -0.6103000      0.4353000    
 C   -1.534500      0.2350000      0.8496000    
 C   0.5057000       1.594700      0.1633000    
 C    2.059000     -1.5699999E-02  6.8400003E-02
 C   -2.406000     -5.3500000E-02 -0.3743000    
 C   0.6609000      -2.046100      0.7157000    
 C  -2.4100000E-02   2.968200      6.3000001E-02
 C    3.340300     -0.6193000     -0.1268000    
 C   -3.862300     -0.2238000     -6.0000001E-03
 C    5.626600     -0.1861000     -0.7206000    
 C   -5.989200     -0.6349000     -0.9580000    
 H   -1.646000     -0.5653000       1.591300    
 H   -1.898300       1.142300       1.350300    
 H    2.519000       2.008400     -0.3638000    
 H   -2.068500     -0.9737000     -0.8653000    
 H   -2.329000      0.7727000      -1.090800    
 H    1.180400      -2.336400       1.635000    
 H  -0.3957000      -2.300000      0.8362000    
 H    1.042500      -2.662100     -0.1055000    
 H   0.7055000       3.656500     -0.3760000    
 H  -0.9212000       2.991500     -0.5639000    
 H  -0.2901000       3.347500       1.054900    
 H    5.626500     -0.9131000      -1.538000    
 H    6.023700     -0.6331000      0.1954000    
 H    6.257800      0.6609000      -1.002100    
 H   -6.176000      -1.509200     -0.3272000    
 H   -6.442800     -0.8058000      -1.937900    
 H   -6.433500      0.2625000     -0.5170000    


%chk=000140037-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000140037

0 1
O 4.359595 0.347838 -0.401407
O -4.598715 -0.866193 -1.073457
O 3.701246 -1.881309 -0.068113
O -4.503359 0.648201 0.692807
N 1.900730 1.329347 0.005734
C -0.113697 0.430775 0.500944
C 0.837684 -0.644448 0.396866
C -1.585979 0.288774 0.801841
C 0.575303 1.644696 0.253797
C 2.089598 -0.059610 0.087572
C -2.423584 -0.041601 -0.463777
C 0.559050 -2.112605 0.591688
C 0.078061 3.062697 0.226740
C 3.395013 -0.660692 -0.117834
C -3.917335 -0.025278 -0.186464
C 5.731909 -0.148193 -0.629555
C -6.075682 -0.890803 -0.927903
H -1.743694 -0.513348 1.547769
H -1.992080 1.210963 1.255082
H 2.661827 1.976040 -0.198353
H -2.142831 -1.016959 -0.895951
H -2.219899 0.715931 -1.246920
H 1.495172 -2.692359 0.575010
H 0.045978 -2.296700 1.554866
H -0.099922 -2.508687 -0.205246
H 0.039720 3.469775 -0.802584
H -0.941408 3.121229 0.641842
H 0.721065 3.734994 0.825629
H 5.754247 -0.839545 -1.489210
H 6.104346 -0.677584 0.264011
H 6.330492 0.751835 -0.832204
H -6.353824 -1.235400 0.082187
H -6.421393 -1.594802 -1.697547
H -6.493332 0.116820 -1.092558


