%chk=000100825.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100825

0 1
 O    5.456200       1.787700      0.1562000    
 O   -5.496000       1.689200      0.3155000    
 O  -0.7711000      -4.902400      0.8724000    
 O    5.652900       2.162900      -2.051400    
 O    5.309100       1.302200       2.346000    
 O   -4.693800       2.217300       2.347900    
 O   -6.230100       1.251200      -1.763400    
 O  -0.7111000      -3.899100      -1.165200    
 N   9.3000000E-03  -1.530800      2.8100001E-02
 N    3.245800      0.2996000     -0.3073000    
 N   -3.200700      0.3668000     -0.2308000    
 C    1.023400     -0.5231000      0.3184000    
 C   -1.316800      -1.056400      0.4270000    
 C    2.236200     -0.7217000     -0.5860000    
 C   -1.868000     -9.3599997E-02 -0.6205000    
 C   0.3243000      -2.788600      0.7070000    
 C    4.173300      0.4150000      -1.420000    
 C    3.994600     -3.9099999E-02  0.8912000    
 C   -3.104300       1.407600      0.7788000    
 C   -3.912300      0.8973000      -1.381500    
 C    5.133100       1.529400      -1.133700    
 C    4.952000       1.074000       1.191100    
 C   -4.487500       1.784700       1.214800    
 C   -5.299800       1.273200     -0.9586000    
 C  -0.4188000      -3.903200      2.3900000E-02
 H    1.285300     -0.5520000       1.383000    
 H   0.6505000      0.4918000      0.1360000    
 H   -2.024100      -1.893800      0.4990000    
 H   -1.271200     -0.6113000       1.428100    
 H    2.666400      -1.727200     -0.5043000    
 H    1.886000     -0.6202000      -1.622900    
 H   -1.206800      0.7592000     -0.8141000    
 H   -1.933300     -0.6500000      -1.566400    
 H   5.7599999E-02  -2.748300       1.770300    
 H    1.384400      -3.054200      0.6381000    
 H    3.628200      0.6867000      -2.331800    
 H    4.739000     -0.5056000      -1.605100    
 H    4.561700     -0.9728000      0.7936000    
 H    3.334300     -0.1204000       1.760100    
 H   -2.592100       2.308300      0.4193000    
 H   -2.587300       1.044700       1.672500    
 H   -4.009700      0.1203000      -2.149100    
 H   -3.423100       1.773600      -1.822700    
 H   -1.271000      -5.611500      0.4149000    


%chk=000100825-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100825

0 1
O 5.580406 1.576680 -0.241796
O -5.591379 1.606435 -0.391972
O -0.251317 -4.877169 -0.133089
O 4.879601 2.645086 -2.148371
O 6.401197 0.368044 1.527041
O -5.182620 2.853188 1.489826
O -5.952402 0.548276 -2.396160
O -0.273817 -2.885006 -1.327260
N -0.044495 -1.423491 1.256151
N 3.157001 0.197606 -0.110691
N -3.074531 0.420605 -0.196338
C 1.276642 -0.793493 1.248672
C -1.255491 -0.598481 1.223413
C 1.936376 -0.649929 -0.155188
C -1.683082 -0.096006 -0.188625
C -0.150429 -2.862100 1.182287
C 3.545179 0.709355 -1.439243
C 4.303443 -0.447050 0.555448
C -3.247428 1.689447 0.532803
C -3.646502 0.507662 -1.552492
C 4.671759 1.730355 -1.346380
C 5.498707 0.490205 0.693011
C -4.711148 2.106951 0.626178
C -5.131597 0.845577 -1.523729
C -0.226691 -3.482178 -0.230102
H 1.948102 -1.372206 1.917909
H 1.190994 0.222918 1.678971
H -2.102949 -1.186772 1.627884
H -1.104399 0.264351 1.903746
H 2.147745 -1.657715 -0.589147
H 1.210517 -0.162732 -0.829348
H -0.957669 0.675313 -0.553771
H -1.626839 -0.949877 -0.885208
H -1.052582 -3.218929 1.720688
H 0.710001 -3.342572 1.691433
H 2.688732 1.215258 -1.913007
H 3.882626 -0.097041 -2.143559
H 4.662345 -1.363433 0.014019
H 4.034906 -0.760028 1.576249
H -2.687617 2.543319 0.064306
H -2.883050 1.594425 1.567345
H -3.543831 -0.461359 -2.066920
H -3.144303 1.277513 -2.197325
H -0.325411 -5.283605 -1.039260


