%chk=000085125.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085125

0 1
 O    3.130100      0.1507000      0.2745000    
 O   -2.468100     -0.7761000     -0.5192000    
 O   -1.966000      0.9004000      0.9298000    
 N   0.7292000      0.1032000      0.1035000    
 C  -0.3875000      0.3562000     -0.8086000    
 C    2.006700      0.2972000     -0.5920000    
 C   0.6302000      -1.248800      0.6556000    
 C   -1.674600      0.2172000     -4.3699998E-02
 H  -0.3830000     -0.3318000      -1.663300    
 H  -0.3573000       1.377000      -1.207400    
 H    2.054700       1.313000     -0.9999000    
 H    2.122100     -0.4117000      -1.420800    
 H    1.479400      -1.461800       1.315200    
 H   0.6148000      -2.015500     -0.1282000    
 H  -0.2571000      -1.375400       1.284600    
 H    3.926000      0.3037000     -0.2629000    
 H   -3.293800     -0.8662000      2.7999999E-03


%chk=000085125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085125

0 1
O 1.739088 1.514701 0.171526
O -2.524997 0.596184 -0.246363
O -0.792246 0.597925 1.295911
N 0.941731 -0.686285 -0.685635
C -0.395515 -0.230251 -1.035466
C 1.991601 0.319534 -0.668752
C 1.018915 -1.819880 0.256335
C -1.201789 0.361207 0.136452
H -0.997624 -1.057751 -1.459009
H -0.335313 0.552115 -1.815489
H 2.125317 0.754732 -1.674997
H 2.927707 -0.186297 -0.357904
H 2.064479 -2.167699 0.318263
H 0.410768 -2.660291 -0.128923
H 0.665602 -1.581084 1.282947
H 1.298689 1.230744 1.016915
H -3.030613 0.993695 0.514188


