%chk=000042797.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042797

0 1
 O   -3.275000      -2.316900     -1.0300000E-02
 O   -3.276200       2.316400      1.0600000E-02
 N   -2.754400       0.000000     -1.9999999E-04
 C   -1.322000      3.9999999E-04 -1.9999999E-04
 C    1.468000      7.9999998E-04  6.9999998E-04
 C    2.914900      3.9999999E-04   0.000000    
 C  -0.6244000      -1.038700      0.6159000    
 C  -0.6246000       1.039700     -0.6160000    
 C   0.7704000      -1.038300      0.6164000    
 C   0.7702000       1.039900     -0.6156000    
 C   -3.549800      -1.128200      1.2800000E-02
 C   -3.550400       1.127700     -1.2900000E-02
 C    3.612900      0.6152000       1.039500    
 C    3.611900     -0.6152000      -1.039700    
 C   -4.945200     -0.6652000      1.3100000E-02
 C   -4.945500      0.6639000     -1.3200000E-02
 C    5.007700      0.6147000       1.039300    
 C    5.006800     -0.6158000      -1.039900    
 C    5.704600     -7.9999998E-04 -1.9999999E-04
 H   -1.134200      -1.848700       1.128300    
 H   -1.134600       1.849400      -1.128700    
 H    1.298900      -1.852900       1.106300    
 H    1.298800       1.854400      -1.105500    
 H    3.085200       1.099600       1.857800    
 H    3.083500      -1.099300      -1.857700    
 H   -5.803600      -1.315600      2.2399999E-02
 H   -5.804300       1.313800     -2.2299999E-02
 H    5.551200       1.093500       1.848600    
 H    5.549700      -1.095100      -1.849200    
 H    6.790700     -1.3000000E-03 -3.9999999E-04


%chk=000042797-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042797

0 1
O -3.259430 -2.166830 -0.938404
O -3.259599 2.167092 0.938147
N -2.815581 0.000218 -0.000343
C -1.376846 0.000168 -0.000217
C 1.479199 -0.000025 -0.000078
C 2.969581 -0.000136 -0.000004
C -0.664991 -1.200405 0.242668
C -0.664806 1.200638 -0.243083
C 0.742215 -1.192760 0.234686
C 0.742398 1.192803 -0.234961
C -3.648231 -1.073980 -0.463145
C -3.648335 1.074431 0.462442
C 3.701275 1.132999 0.452650
C 3.701141 -1.133391 -0.452562
C -5.071270 -0.623966 -0.268402
C -5.071326 0.623769 0.268912
C 5.112239 1.133925 0.452158
C 5.112105 -1.134546 -0.451908
C 5.826074 -0.000369 0.000164
H -1.204718 -2.131111 0.430981
H -1.204379 2.131399 -0.431543
H 1.275571 -2.124615 0.450997
H 1.275904 2.124569 -0.451282
H 3.162246 2.006203 0.837570
H 3.162013 -2.006516 -0.837525
H -5.910868 -1.261502 -0.545087
H -5.910985 1.260912 0.546318
H 5.654596 2.014771 0.813741
H 5.654360 -2.015485 -0.813420
H 6.921648 -0.000460 0.000229


