%chk=000085676.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085676

0 1
 O   -2.259200       2.023800      0.1422000    
 O   -2.059200      -2.546900     -0.1695000    
 N  -5.9599999E-02  -1.451800      3.1900000E-02
 N   -2.085900     -0.2882000      0.1950000    
 C   1.9999999E-04   1.041200     -7.6200001E-02
 C   0.7408000     -0.2642000      0.3395000    
 C    2.141000     -0.4334000     -0.2526000    
 C   -1.417400      0.9519000      0.5434000    
 C  -7.6399997E-02   1.209700      -1.609300    
 C   0.7271000       2.276800      0.4960000    
 C    3.036000      0.7361000      0.1484000    
 C    2.753700      -1.758300      0.1933000    
 C   -1.441100      -1.496600      1.7800000E-02
 H   0.8233000     -0.2734000       1.436300    
 H    2.095300     -0.4729000      -1.347800    
 H   -1.355100      0.9755000       1.637700    
 H   0.9165000       1.309200      -2.059500    
 H  -0.5725000      0.3611000      -2.090900    
 H  -0.6312000       2.114600      -1.881600    
 H    1.485900       2.705100     -0.1578000    
 H   8.8000000E-03   3.100900      0.6066000    
 H    1.114600       2.108400       1.505100    
 H   0.3948000      -2.354500     -3.9400000E-02
 H   -3.101000     -0.2913000      0.1982000    
 H    2.917400       1.041100       1.190500    
 H    4.089000      0.4359000      5.9200000E-02
 H    2.961400       1.570500     -0.5482000    
 H    2.669100      -1.899900       1.276200    
 H    3.819900      -1.796800     -5.9000000E-02
 H    2.304900      -2.619600     -0.3101000    
 H   -2.612100       1.796000     -0.7343000    


%chk=000085676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085676

0 1
O -2.351798 2.031290 0.109787
O -2.081324 -2.580114 -0.395398
N -0.069041 -1.411680 -0.182187
N -2.104109 -0.330157 0.238846
C -0.015970 1.062600 -0.059252
C 0.742418 -0.268230 0.304555
C 2.193803 -0.494157 -0.246712
C -1.466542 0.946910 0.550856
C -0.093501 1.263686 -1.592846
C 0.590461 2.316480 0.624791
C 3.182561 0.675676 -0.032873
C 2.809303 -1.766783 0.403207
C -1.451174 -1.511654 -0.125062
H 0.808864 -0.300498 1.419291
H 2.100406 -0.672011 -1.338174
H -1.412196 1.124220 1.643396
H 0.918490 1.276260 -2.033291
H -0.664138 0.456928 -2.086719
H -0.558413 2.236162 -1.838196
H 1.459202 2.712025 0.078759
H -0.175551 3.111904 0.657809
H 0.905411 2.100400 1.663362
H 0.400408 -2.273821 -0.456402
H -3.101712 -0.422997 0.437845
H 3.190138 1.015745 1.018913
H 4.205855 0.339070 -0.281621
H 2.958636 1.543735 -0.673794
H 2.958547 -1.608756 1.488419
H 3.795869 -1.982509 -0.044899
H 2.193654 -2.676753 0.285051
H -2.539555 1.897030 -0.856361


