%chk=000082336.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082336

0 1
 O    1.951800      0.7704000     -0.9159000    
 O    1.900700      0.7092000       1.384700    
 N  -7.1999997E-02  -1.802000      6.3900001E-02
 C  -0.7887000     -0.5851000      2.4900001E-02
 C  -0.1288000      0.6388000      0.1351000    
 C   -2.174900     -0.6188000     -0.1267000    
 C  -0.8550000       1.829000      9.3999997E-02
 C  -0.1184000      -2.714700      -1.059400    
 C   0.7279000      -2.142800       1.222100    
 C   -2.901100      0.5714000     -0.1677000    
 C   -2.241300       1.795400     -5.7300001E-02
 C    1.318400      0.7081000      0.2940000    
 C    3.381500      0.8410000     -0.8917000    
 H   -2.706500      -1.563400     -0.2076000    
 H  -0.3522000       2.789000      0.1791000    
 H   1.4000000E-03  -2.176800      -2.006300    
 H   -1.070000      -3.255700      -1.080600    
 H   0.6862000      -3.455700      -1.000600    
 H   0.5945000      -3.201000       1.473900    
 H   0.4406000      -1.567300       2.109100    
 H    1.791600      -1.983100       1.019200    
 H   -3.980700      0.5453000     -0.2841000    
 H   -2.806900       2.722000     -8.8900000E-02
 H    3.794400     -5.2400000E-02 -0.4139000    
 H    3.705600       1.744900     -0.3674000    
 H    3.737800      0.8852000      -1.924100    


%chk=000082336-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000082336

0 1
O 2.112402 0.258687 -0.520364
O 1.794317 1.964365 1.026228
N -0.007476 -1.765670 -0.171701
C -0.718190 -0.561522 -0.161049
C -0.143199 0.701691 0.239689
C -2.110767 -0.567906 -0.507680
C -0.995686 1.827487 0.434588
C -0.522557 -2.929524 -0.905762
C 1.095401 -2.050179 0.757748
C -2.911824 0.575787 -0.365942
C -2.368114 1.781596 0.143795
C 1.306070 1.025622 0.342048
C 3.540777 0.648406 -0.542782
H -2.578475 -1.499945 -0.836485
H -0.526915 2.755546 0.778453
H -0.946509 -2.623151 -1.877209
H -1.299742 -3.490615 -0.341164
H 0.313347 -3.620511 -1.110273
H 0.924604 -3.035351 1.235530
H 1.129213 -1.290026 1.555273
H 2.077987 -2.059397 0.251196
H -3.975506 0.518552 -0.625334
H -2.996505 2.666356 0.283364
H 3.987777 0.553438 0.461759
H 3.646750 1.693149 -0.880619
H 4.008720 -0.045985 -1.255510


