%chk=000017396.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017396

0 1
 O   -4.481400       1.156300     -0.1367000    
 N   -2.114100     -0.2333000      0.6162000    
 N    1.268500      -3.723700      -1.848000    
 C   -1.375500      -1.174300       1.455700    
 C  -0.7542000      -2.277700      0.5936000    
 C   -3.213400     -0.9113000     -8.4799998E-02
 C   -2.639400      0.8803000       1.418300    
 C   0.2336000      -1.717500     -0.4660000    
 C   -3.976200      9.2500001E-02 -0.9445000    
 C   -3.416700       1.841700      0.5237000    
 C    1.308000     -0.8418000      0.1009000    
 C    1.447300      0.5043000     -0.2745000    
 C    2.179000      -1.416300       1.027200    
 C    2.484700       1.278600      0.2976000    
 C   0.8084000      -2.847000      -1.242500    
 C   0.5799000       1.098800      -1.205100    
 C    3.199100     -0.6549000       1.589600    
 C    3.352200      0.6839000       1.228100    
 C    2.624100       2.624700     -7.8000002E-02
 C   0.7330000       2.437600      -1.566600    
 C    1.753100       3.199200      -1.004100    
 H   -2.034900      -1.635900       2.202700    
 H  -0.5932000     -0.6511000       2.017600    
 H   -1.507700      -2.921200      0.1251000    
 H  -0.2174000      -2.955500       1.272500    
 H   -3.901100      -1.372900      0.6357000    
 H   -2.858900      -1.687000     -0.7682000    
 H   -1.817200       1.426100       1.895100    
 H   -3.300800      0.5014000       2.208400    
 H  -0.3916000      -1.207800      -1.197200    
 H   -3.344700      0.5056000      -1.740900    
 H   -4.831500     -0.3974000      -1.420700    
 H   -3.859200       2.639100       1.129200    
 H   -2.766600       2.314100     -0.2230000    
 H    2.086300      -2.457200       1.325100    
 H  -0.2382000      0.5862000      -1.694800    
 H    3.877600      -1.102700       2.310100    
 H    4.156800       1.260000       1.680400    
 H    3.414300       3.238700      0.3490000    
 H   5.5399999E-02   2.886600      -2.287300    
 H    1.871500       4.241400      -1.285900    


%chk=000017396-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017396

0 1
O -4.834707 0.924387 -0.580364
N -2.352697 -0.229070 0.419148
N 0.867008 -3.899269 -1.689435
C -1.456683 -0.856728 1.425527
C -0.674572 -2.063519 0.870001
C -3.514320 -1.085493 0.050710
C -2.834721 1.105101 0.876956
C 0.239904 -1.677075 -0.346321
C -4.358802 -0.392871 -1.031977
C -3.682960 1.766192 -0.220388
C 1.497163 -0.896305 0.081794
C 1.586244 0.540994 -0.052838
C 2.572560 -1.605562 0.634118
C 2.803640 1.206773 0.384103
C 0.602073 -2.899280 -1.093523
C 0.534417 1.353980 -0.602274
C 3.759545 -0.946267 1.070400
C 3.874141 0.438045 0.945436
C 2.918981 2.630283 0.244421
C 0.680531 2.737655 -0.727510
C 1.882956 3.386192 -0.303831
H -2.026721 -1.189936 2.328984
H -0.741081 -0.083175 1.761699
H -1.370766 -2.863198 0.556374
H -0.046923 -2.486466 1.675737
H -4.156649 -1.293697 0.942643
H -3.154855 -2.053402 -0.343071
H -1.958549 1.741441 1.103037
H -3.448856 1.015145 1.807046
H -0.384496 -1.061530 -1.020841
H -3.753781 -0.275472 -1.957412
H -5.267956 -0.974079 -1.256961
H -4.111246 2.720268 0.128410
H -3.054707 1.946710 -1.120703
H 2.511540 -2.697700 0.712980
H -0.407430 0.887260 -0.910434
H 4.580174 -1.535918 1.492332
H 4.785387 0.954821 1.268942
H 3.844764 3.115333 0.576582
H -0.132638 3.334327 -1.156444
H 1.983989 4.471704 -0.410050


