%chk=000017036.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017036

0 1
 O   0.5001000      0.5382000       1.584400    
 O   -1.606800      0.1832000     -1.7999999E-02
 O  -0.3556000       1.600200      -1.327500    
 N   -5.237300      0.4404000     -0.6002000    
 C   0.7704000      9.4200000E-02  0.2391000    
 C   0.7376000      -1.434800      0.1858000    
 C    2.125300      0.6279000     -0.2323000    
 C  -0.4296000      0.7356000     -0.4624000    
 C   0.3094000      -2.044700     -0.9710000    
 C    3.121600      0.8094000      0.6989000    
 C    1.137200      -2.141200       1.296800    
 C    2.294400      0.9057000      -1.569100    
 C   0.4715000       1.950100       1.649500    
 C   -2.794800      0.6730000     -0.6259000    
 C   -3.987800     -4.5299999E-02 -1.5600000E-02
 C   0.2793000      -3.438400      -1.019200    
 C    4.356200       1.296100      0.2691000    
 C    1.107100      -3.535000       1.248400    
 C    3.529000       1.392300      -1.998800    
 C   0.6782000      -4.183500      9.0599999E-02
 C    4.559800       1.587500      -1.079700    
 C   0.1856000       2.372200       3.074900    
 C   -5.370600       1.882400     -0.3956000    
 C   -6.380300     -0.2655000     -2.2399999E-02
 H   6.8999999E-03  -1.484400      -1.849700    
 H    2.997500      0.5665000       1.749500    
 H    1.483100      -1.657300       2.204400    
 H    1.541200      0.7075000      -2.323000    
 H    1.400900       2.438700       1.349800    
 H  -0.3418000       2.393000       1.066300    
 H   -2.752400      0.4937000      -1.707100    
 H   -2.824800       1.750400     -0.4376000    
 H   -3.973600      7.8299999E-02   1.075900    
 H   -3.876500      -1.121800     -0.1999000    
 H  -5.1800001E-02  -3.943700      -1.921900    
 H    5.161300       1.441900      0.9834000    
 H    1.419900      -4.115400       2.111500    
 H    3.693000       1.604900      -3.051100    
 H   0.6560000      -5.268700      5.2400000E-02
 H    5.522600       1.961700      -1.415000    
 H   0.9635000       1.999100       3.749400    
 H  -0.7645000       1.950600       3.420100    
 H   0.1391000       3.461700       3.161700    
 H   -4.695200       2.451100      -1.042100    
 H   -5.210400       2.176200      0.6482000    
 H   -6.375900       2.216200     -0.6813000    
 H   -7.313100      5.4000001E-02 -0.5002000    
 H   -6.469300     -9.6000001E-02   1.056800    
 H   -6.294800      -1.344000     -0.1963000    


%chk=000017036-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017036

0 1
O 0.827374 0.947966 1.767972
O -1.614605 0.278221 -0.212802
O -0.566932 2.309755 -0.595949
N -5.310284 0.312393 -0.822135
C 0.753653 0.422064 0.368809
C 0.563614 -1.099983 0.513144
C 2.047930 0.737294 -0.402755
C -0.507693 1.108500 -0.231002
C 0.777934 -1.942613 -0.605031
C 3.264537 0.292463 0.180627
C 0.149072 -1.669914 1.739612
C 2.091043 1.406201 -1.648912
C 1.213653 2.372341 1.936444
C -2.911184 0.898049 -0.623950
C -3.972894 -0.191012 -0.431052
C 0.576413 -3.335667 -0.500543
C 4.497154 0.514124 -0.464685
C -0.043483 -3.065751 1.846239
C 3.328418 1.619334 -2.302338
C 0.164640 -3.904252 0.727344
C 4.533742 1.177902 -1.715080
C 1.184232 2.638948 3.441527
C -5.921380 1.193618 0.195261
C -6.229295 -0.767642 -1.235643
H 1.112690 -1.512340 -1.555915
H 3.229277 -0.229385 1.143751
H -0.010151 -1.015676 2.600135
H 1.171348 1.780451 -2.106296
H 2.225890 2.532648 1.517264
H 0.503455 3.022826 1.391907
H -2.847561 1.213287 -1.679466
H -3.082683 1.792620 0.000417
H -3.940119 -0.559473 0.623711
H -3.711795 -1.046166 -1.079731
H 0.746652 -3.976686 -1.373080
H 5.426318 0.165728 0.000140
H -0.358449 -3.497901 2.803158
H 3.346696 2.137646 -3.267688
H 0.013733 -4.986644 0.811252
H 5.490090 1.347274 -2.222659
H 1.881439 1.967949 3.972884
H 0.170499 2.480224 3.848697
H 1.482246 3.684124 3.643755
H -5.258550 2.046987 0.419108
H -6.140245 0.663874 1.157423
H -6.870360 1.602897 -0.194361
H -7.172104 -0.326592 -1.606379
H -6.485233 -1.478379 -0.409335
H -5.777943 -1.347429 -2.059796


