%chk=000076475.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076475

0 1
 O   -1.016200       1.968900     -0.8773000    
 O   -2.376000       1.387000      0.8271000    
 O    2.307900      0.3544000       1.275400    
 N   0.7449000      8.2900003E-02 -0.4283000    
 C   -1.099700      -1.390800      0.2044000    
 C  -0.4358000     -1.0800000E-02  0.4000000    
 C  -0.1471000      -2.543600      0.5327000    
 C   -1.698300      -1.579800      -1.193000    
 C   -1.365300       1.176700      0.1661000    
 C    2.018200      0.2580000      8.5699998E-02
 C    3.067500      0.2971000     -0.9928000    
 H   -1.937100      -1.449200      0.9133000    
 H  -0.1189000      7.7399999E-02   1.447100    
 H  -0.6824000      -3.499200      0.5181000    
 H   0.2840000      -2.420000       1.531700    
 H   0.6734000      -2.613900     -0.1890000    
 H  -0.9270000      -1.564600      -1.969700    
 H   -2.216600      -2.542600      -1.260300    
 H   -2.429600     -0.7985000      -1.422600    
 H   0.6221000      6.4300001E-02  -1.436700    
 H    4.034600      0.5633000     -0.5575000    
 H    3.144700     -0.6864000      -1.464400    
 H    2.803900       1.044100      -1.747000    
 H   -1.652100       2.704300      -1.007600    


%chk=000076475-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076475

0 1
O -1.148612 1.934383 -0.919361
O -2.381479 1.346618 0.958446
O 2.307530 -0.280373 1.188283
N 0.767793 0.161071 -0.500584
C -1.144705 -1.369465 0.213862
C -0.394837 0.005680 0.378312
C -0.210750 -2.535719 0.600864
C -1.714127 -1.551462 -1.211463
C -1.399824 1.141444 0.215562
C 2.064339 0.041114 -0.015183
C 3.171321 0.312696 -1.028714
H -1.988694 -1.331792 0.931447
H -0.009259 0.044459 1.416475
H -0.760789 -3.493650 0.558693
H 0.197677 -2.409381 1.618675
H 0.645686 -2.603345 -0.094481
H -0.902001 -1.569156 -1.962614
H -2.254739 -2.512184 -1.284272
H -2.423124 -0.747921 -1.484514
H 0.608807 0.529058 -1.439372
H 3.834774 1.100083 -0.632129
H 3.783231 -0.598166 -1.148650
H 2.796513 0.623065 -2.019255
H -1.845631 2.641942 -0.984626


