%chk=000038228.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038228

0 1
 O    4.225300      -1.444700      0.4187000    
 O    4.230800      0.5976000     -0.6434000    
 O   0.8289000       3.442000      7.9200000E-02
 N  -0.7801000       1.720100      5.3500000E-02
 C  -0.6142000     -0.7075000     -5.4000001E-02
 C  -1.2900000E-02  0.5527000     -1.6899999E-02
 C   -2.052700     -0.8585000     -2.1400001E-02
 C   0.1816000      -1.853100     -0.1245000    
 C    1.376800      0.6665000     -5.0200000E-02
 C    2.168900     -0.4795000     -0.1207000    
 C    1.571300      -1.739300     -0.1578000    
 C   -2.713800     -0.9828000       1.200600    
 C   -2.778700     -0.8778000      -1.212100    
 C   -4.100900      -1.126300       1.231700    
 C   -4.165900      -1.021200      -1.180900    
 C    3.618100     -0.3616000     -0.1562000    
 C   -4.827000      -1.145500      4.1000001E-02
 C  -0.3315000       3.044700      9.7300000E-02
 C   -1.480300       4.019000      0.1701000    
 C    5.656600      -1.445100      0.4459000    
 H  -0.2662000      -2.843900     -0.1571000    
 H    1.904300       1.608200     -1.9200001E-02
 H    2.162100      -2.649100     -0.2254000    
 H   -1.788600       1.592600      7.5999998E-02
 H   -2.163100     -0.9688000       2.138300    
 H   -2.279300     -0.7811000      -2.173300    
 H   -4.615800      -1.222600       2.183200    
 H   -4.731400      -1.035800      -2.108000    
 H   -5.907000      -1.257000      6.5300003E-02
 H   -2.105400       3.920800     -0.7219000    
 H   -1.096300       5.041500      0.2243000    
 H   -2.081300       3.818500       1.061700    
 H    6.022900     -0.5908000       1.022800    
 H    6.052900      -1.421600     -0.5736000    
 H    5.987700      -2.366700      0.9316000    


%chk=000038228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038228

0 1
O 4.382490 -1.610753 0.095424
O 4.360304 0.718107 0.113422
O 0.747545 3.492054 0.100712
N -0.792094 1.715826 0.053446
C -0.582088 -0.710569 0.038607
C 0.053823 0.573755 0.056632
C -2.080923 -0.826926 0.017425
C 0.221973 -1.873664 0.039726
C 1.467630 0.664666 0.075954
C 2.246736 -0.517483 0.076781
C 1.628336 -1.792618 0.058525
C -2.820195 -0.886015 1.229834
C -2.784058 -0.886869 -1.216224
C -4.228478 -1.011738 1.208778
C -4.192321 -1.012517 -1.236668
C 3.732239 -0.367472 0.097711
C -4.918179 -1.074505 -0.024393
C -0.443814 3.071437 0.072790
C -1.653246 4.008041 0.062094
C 5.861128 -1.547502 0.114577
H -0.271246 -2.851342 0.026150
H 1.957081 1.640950 0.090671
H 2.245395 -2.694087 0.058804
H -1.794474 1.503607 0.036148
H -2.286016 -0.843863 2.185880
H -2.221865 -0.845257 -2.156093
H -4.784150 -1.063617 2.151698
H -4.719993 -1.064917 -2.195513
H -6.009173 -1.173999 -0.040495
H -2.245669 3.883864 -0.863436
H -1.293194 5.045271 0.115563
H -2.319904 3.815486 0.923090
H 6.210728 -1.023009 1.019886
H 6.233589 -1.013381 -0.775883
H 6.187882 -2.597059 0.112975


