%chk=000163125.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163125

0 1
 O  -0.9562000     -0.7866000       1.335700    
 O   -1.528800      -2.920900     -5.5799998E-02
 O   -2.917900       1.282800      0.7879000    
 O   -3.502400      2.2800000E-02  -1.093000    
 N    4.057300      0.3816000      0.3261000    
 C    1.387200     -0.7017000      0.6775000    
 C    2.325100      -1.161100     -0.4492000    
 C    3.197800      7.4699998E-02 -0.8429000    
 C   0.2143000      -1.633600       1.062100    
 C    2.226300     -0.2645000       1.894400    
 C   0.5742000      0.4454000      0.1748000    
 C    2.341600       1.278800      -1.366300    
 C    3.311400      0.7621000       1.529800    
 C   0.9905000       1.416800     -0.7176000    
 C  -0.1194000      -2.715800      2.2000000E-03
 C    1.559700      -1.779800      -1.591000    
 C  -0.7212000      0.3649000      0.6340000    
 C   0.4315000      -2.473200      -1.377900    
 C    5.117900       1.339500      3.1500001E-02
 C   7.0299998E-02   2.412500      -1.049800    
 C   -1.644300       1.340100      0.3270000    
 C   -1.232400       2.382800     -0.5128000    
 C   -3.806600      0.5660000     -3.9799999E-02
 C   -5.187800      0.5718000      0.5753000    
 C   -6.188100     -0.2054000     -0.2623000    
 H    2.995900      -1.949800     -7.5800002E-02
 H    3.865100     -0.2337000      -1.659600    
 H   0.4278000      -2.151900       2.005900    
 H    2.712600      -1.151300       2.323000    
 H    1.592600      0.1565000       2.685600    
 H    2.167200       1.113300      -2.438200    
 H    2.885800       2.224900      -1.286800    
 H    2.859900       1.755300       1.414100    
 H    4.000000      0.8358000       2.380900    
 H   0.3184000      -3.666500      0.3340000    
 H    1.955300      -1.695700      -2.598300    
 H  -6.6500001E-02  -2.942700      -2.221400    
 H    4.743100       2.354800     -0.1312000    
 H    5.686400       1.033100     -0.8534000    
 H    5.833300       1.377200      0.8609000    
 H   0.3420000       3.201900      -1.745500    
 H   -1.934700       3.165900     -0.7894000    
 H   -1.836200      -3.093600      0.8506000    
 H   -5.519200       1.611100      0.6687000    
 H   -5.122900      0.1240000       1.572300    
 H   -5.881400      -1.251000     -0.3710000    
 H   -7.176200     -0.1854000      0.2078000    
 H   -6.277400      0.2231000      -1.266100    


%chk=000163125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000163125

0 1
O -1.066105 -0.675764 1.164111
O -1.617888 -2.989216 -0.143029
O -3.045992 1.478439 0.330414
O -3.395888 -0.689636 -0.498558
N 4.064092 0.332634 0.450197
C 1.332061 -0.654307 0.650372
C 2.311620 -1.141177 -0.456958
C 3.261792 0.056657 -0.777508
C 0.136872 -1.600963 0.997276
C 2.150722 -0.283182 1.921206
C 0.593626 0.546689 0.078752
C 2.503114 1.307538 -1.361428
C 3.246051 0.755729 1.612216
C 1.101165 1.507198 -0.801340
C -0.197679 -2.672214 -0.102038
C 1.538103 -1.672588 -1.648821
C -0.761175 0.483765 0.433366
C 0.367893 -2.338943 -1.477547
C 5.233303 1.200595 0.228708
C 0.204256 2.528163 -1.226342
C -1.656534 1.469024 -0.010342
C -1.149024 2.516158 -0.817424
C -3.826697 0.321538 0.089438
C -5.219082 0.519927 0.657063
C -6.222965 -0.535122 0.158200
H 2.967572 -1.934708 -0.041155
H 3.985049 -0.278470 -1.547403
H 0.236610 -2.086300 1.980855
H 2.624604 -1.205487 2.310773
H 1.475257 0.111279 2.704124
H 2.414948 1.187968 -2.460389
H 3.128959 2.209933 -1.209957
H 2.778043 1.759075 1.453133
H 3.917835 0.852717 2.485963
H 0.273868 -3.618596 0.234158
H 1.948377 -1.511598 -2.655539
H -0.198029 -2.749143 -2.323066
H 4.982166 2.269573 0.012017
H 5.828892 0.813442 -0.617843
H 5.874047 1.189051 1.129512
H 0.549067 3.314451 -1.907454
H -1.844442 3.290333 -1.157261
H -2.149669 -2.149822 -0.249705
H -5.547772 1.548534 0.421399
H -5.125853 0.481145 1.760955
H -5.867588 -1.554432 0.383996
H -7.203149 -0.388252 0.644323
H -6.363532 -0.466335 -0.934420


