%chk=000085508.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085508

0 1
 O  -0.2467000      0.4307000     -1.8000000E-03
 O   -1.430700      -1.511900      0.3822000    
 N    3.410500      2.1900000E-02  0.2419000    
 C    2.138200      0.6953000      2.8300000E-02
 C   0.9814000     -0.2763000      0.1994000    
 C   -2.582100      0.5707000     -0.1205000    
 C   -3.894900     -0.2028000     -2.5599999E-02
 C    4.523700      0.9663000      0.1185000    
 C    3.577900      -1.082800     -0.7056000    
 C   -1.383000     -0.3178000      0.1208000    
 C   -5.094200      0.7067000     -0.2376000    
 H    2.082900       1.163400     -0.9639000    
 H    2.013400       1.510600      0.7529000    
 H   0.9878000     -0.7082000       1.207600    
 H    1.009400      -1.080500     -0.5425000    
 H   -2.568500       1.370800      0.6282000    
 H   -2.486100       1.013200      -1.118300    
 H   -3.910700      -1.005200     -0.7727000    
 H   -3.976400     -0.6836000      0.9567000    
 H    4.419500       1.780200      0.8447000    
 H    4.584900       1.403900     -0.8846000    
 H    5.476000      0.4711000      0.3391000    
 H    4.595900      -1.486800     -0.6434000    
 H    3.406700     -0.7744000      -1.743400    
 H    2.926300      -1.928700     -0.4659000    
 H   -6.023000      0.1320000     -0.1665000    
 H   -5.125500       1.497500      0.5186000    
 H   -5.060200       1.176600      -1.225700    


%chk=000085508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085508

0 1
O -0.267485 0.400048 0.017034
O -1.478412 -1.531480 0.500202
N 3.457348 -0.014832 0.115234
C 2.133290 0.595777 -0.144771
C 0.998219 -0.353257 0.257827
C -2.658437 0.572265 -0.084403
C -4.003368 -0.172005 0.032026
C 4.527854 0.995909 0.239220
C 3.813416 -1.073276 -0.853580
C -1.456754 -0.321316 0.180142
C -5.202165 0.756803 -0.250970
H 2.001040 0.899036 -1.213929
H 2.046123 1.512675 0.465918
H 1.066694 -0.622270 1.326124
H 0.971821 -1.283150 -0.337052
H -2.615859 1.422075 0.625519
H -2.539532 1.020519 -1.090317
H -4.009228 -1.026120 -0.670722
H -4.090321 -0.611081 1.043218
H 4.271726 1.715451 1.036823
H 4.710066 1.571912 -0.703704
H 5.473596 0.498775 0.520273
H 4.780693 -1.522213 -0.566775
H 3.904748 -0.692507 -1.903180
H 3.058263 -1.877583 -0.846009
H -6.157457 0.208059 -0.165801
H -5.234864 1.601233 0.463587
H -5.148514 1.182454 -1.271034


