%chk=000105688.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105688

0 1
 O    4.288300      -2.376400     -0.2292000    
 O    3.871000       2.357700      0.2162000    
 O  -0.7918000       1.852800      0.1533000    
 N  -7.2700001E-02 -0.3709000     -5.4699998E-02
 C    1.338400     -0.2479000     -3.8500000E-02
 C   -2.423800      0.2006000      1.9700000E-02
 C    1.906300       1.008700      8.2099997E-02
 C    2.117400      -1.387400     -0.1431000    
 C   -1.038200      0.6413000      3.7999999E-02
 C    3.507100      -1.266700     -0.1269000    
 C    3.295900       1.129600      9.8399997E-02
 C    4.096300     -8.0000004E-03 -6.0999999E-03
 C   -3.421200       1.054900     -0.4507000    
 C   -2.755700      -1.076500      0.4720000    
 C   -4.750400      0.6322000     -0.4685000    
 C   -4.084900      -1.499100      0.4541000    
 C   -5.082200     -0.6447000     -1.6200000E-02
 H  -0.3917000      -1.326500     -0.1884000    
 H    1.351200       1.931000      0.1671000    
 H    1.656400      -2.367400     -0.2368000    
 H    5.180000      7.9000004E-02  5.7999999E-03
 H   -3.183800       2.051900     -0.8125000    
 H   -2.021100      -1.762600      0.8830000    
 H   -5.527000       1.297000     -0.8353000    
 H   -4.345300      -2.490100      0.8145000    
 H   -6.117400     -0.9732000     -2.8400000E-02
 H    3.716000      -3.159200     -0.3052000    
 H    4.838200       2.254900      0.2099000    


%chk=000105688-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105688

0 1
O 4.356307 -2.414662 -0.218012
O 3.973673 2.399752 0.243187
O -0.796136 1.910213 0.002625
N -0.061254 -0.321304 -0.075029
C 1.352526 -0.170139 -0.045377
C -2.466807 0.149766 -0.002704
C 1.985720 1.087092 0.084717
C 2.122790 -1.364586 -0.149633
C -1.048972 0.667364 -0.017344
C 3.529794 -1.280505 -0.120798
C 3.398001 1.126329 0.111708
C 4.188235 -0.039356 0.010737
C -3.483670 1.034811 -0.444422
C -2.828694 -1.142628 0.463160
C -4.833212 0.627477 -0.449175
C -4.181599 -1.548037 0.462973
C -5.186330 -0.667501 -0.000237
H -0.394474 -1.279791 -0.194629
H 1.404711 2.006043 0.155506
H 1.625143 -2.338640 -0.250971
H 5.282937 -0.013617 0.029292
H -3.189218 2.037743 -0.769975
H -2.075169 -1.825740 0.875562
H -5.609407 1.316885 -0.798494
H -4.452458 -2.541928 0.835591
H -6.235409 -0.983240 -0.000019
H 3.816995 -3.238155 -0.313132
H 4.961276 2.341354 0.248491


