%chk=000170727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170727

0 1
 O    6.529100      0.4725000       1.080800    
 O    1.884800      -3.856100     -0.8888000    
 O   -1.468100      -1.277600      0.2626000    
 N    3.177400     -0.5214000     -4.8300002E-02
 N   -1.409300       1.042900     -8.0300003E-02
 C    4.598900     -0.2565000     -0.1486000    
 C    2.726900      -1.879200      0.1845000    
 C    2.245100      0.5308000     -0.1623000    
 C   0.8791000      0.2662000     -6.4700000E-02
 C    5.128200      0.2505000       1.182000    
 C    2.290600      -2.513900      -1.125100    
 C    2.689400       1.836100     -0.3730000    
 C  -2.1800000E-02   1.311100     -0.1793000    
 C    1.767700       2.876900     -0.4859000    
 C   0.4016000       2.612400     -0.3884000    
 C   -2.047700     -0.1878000      0.1277000    
 C   -3.501100     -0.1521000      0.1569000    
 C   -4.208200      -1.113200      0.8792000    
 C   -4.188200      0.8434000     -0.5378000    
 C   -5.602500      -1.079100      0.9068000    
 C   -5.582400      0.8777000     -0.5101000    
 C   -6.289500     -8.3600000E-02  0.2122000    
 H    5.136300      -1.181100     -0.4013000    
 H    4.854200      0.4120000     -0.9796000    
 H    3.550100      -2.480900      0.5947000    
 H    1.959900      -1.954200      0.9650000    
 H   0.5508000     -0.7417000      0.1013000    
 H    4.964000     -0.4902000       1.972000    
 H    4.658500       1.182900       1.507000    
 H    3.121200      -2.537600      -1.838700    
 H    1.462400      -1.988500      -1.608500    
 H    3.735400       2.108200     -0.4597000    
 H    2.112800       3.893600     -0.6504000    
 H  -0.3076000       3.430400     -0.4782000    
 H   -1.985200       1.878500     -0.1353000    
 H    6.668700       1.150200      0.3975000    
 H    1.129800      -3.829200     -0.2765000    
 H   -3.692300      -1.894400       1.431500    
 H   -3.684400       1.589300      -1.145400    
 H   -6.153200      -1.827100       1.469700    
 H   -6.118400       1.647200      -1.058100    
 H   -7.375000     -5.7999998E-02  0.2322000    


%chk=000170727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170727

0 1
O 6.915830 0.313169 0.840631
O 0.821263 -3.230990 -0.314055
O -1.391413 -1.339824 0.036991
N 3.285122 -0.469368 0.003223
N -1.387140 1.013760 0.007556
C 4.725215 -0.262091 -0.207872
C 2.807399 -1.828836 0.341126
C 2.365937 0.583323 -0.102559
C 0.978568 0.307963 0.079370
C 5.466990 0.206003 1.070328
C 2.000733 -2.529442 -0.811388
C 2.749751 1.929884 -0.398655
C 0.007075 1.309917 -0.101891
C 1.764434 2.929060 -0.536568
C 0.389032 2.643836 -0.405028
C -2.014349 -0.226764 0.024044
C -3.521275 -0.192965 0.045146
C -4.188386 -1.349109 0.526280
C -4.291519 0.906926 -0.419924
C -5.596561 -1.395876 0.570116
C -5.701818 0.856996 -0.380168
C -6.358142 -0.290814 0.121669
H 5.181907 -1.210762 -0.541984
H 4.889841 0.469140 -1.024955
H 3.691516 -2.431568 0.610837
H 2.161225 -1.803074 1.240413
H 0.637648 -0.686393 0.345724
H 5.366939 -0.550522 1.865760
H 5.040202 1.160913 1.440872
H 2.621512 -3.305871 -1.289633
H 1.739326 -1.774030 -1.579669
H 3.801606 2.205970 -0.514807
H 2.078570 3.954930 -0.760289
H -0.362318 3.429340 -0.547522
H -1.999687 1.830171 0.057385
H 7.095418 1.064189 0.220399
H 0.049242 -2.606369 -0.215856
H -3.580390 -2.198752 0.852869
H -3.811434 1.790874 -0.858911
H -6.100230 -2.291221 0.949807
H -6.287036 1.705159 -0.751520
H -7.452603 -0.327481 0.152009


