%chk=000139800.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139800

0 1
 O   0.5705000      -1.937800      -1.107900    
 N    1.243600      8.5400000E-02 -0.1460000    
 C    2.636000     -0.1088000     -0.4418000    
 C   0.8924000       1.330600      0.5516000    
 C    3.371800     -0.8342000      0.6784000    
 C   0.5817000       2.468600     -0.4133000    
 C   0.2999000     -0.8896000     -0.5230000    
 C   -1.117900     -0.6764000     -0.1915000    
 C    4.852700      -1.024900      0.3826000    
 C   0.2381000       3.768000      0.3009000    
 C   -1.935200     -1.3000000E-02  -1.093600    
 C   -1.611000      -1.142500       1.017300    
 C   -3.279000      0.1893000     -0.7790000    
 C   -2.954800     -0.9403000       1.331800    
 C   -3.788700     -0.2743000      0.4336000    
 H    3.101900      0.8623000     -0.6460000    
 H    2.723800     -0.6980000      -1.362800    
 H    1.723800       1.605300       1.211700    
 H   2.9600000E-02   1.157600       1.201600    
 H    3.267400     -0.2762000       1.616500    
 H    2.912100      -1.815300      0.8494000    
 H    1.446200       2.644600      -1.064900    
 H  -0.2465000       2.200600      -1.075300    
 H    5.351400     -5.9700001E-02  0.2485000    
 H    5.340800      -1.549000       1.210000    
 H    4.996100      -1.616000     -0.5275000    
 H    1.067500       4.096400      0.9352000    
 H   3.1800002E-02   4.558700     -0.4272000    
 H  -0.6489000       3.643900      0.9302000    
 H   -1.548600      0.3443000      -2.043900    
 H  -0.9677000      -1.661400       1.722300    
 H   -3.928700      0.7064000      -1.479100    
 H   -3.351800      -1.301100       2.276100    
 H   -4.835100     -0.1171000      0.6785000    


%chk=000139800-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139800

0 1
O 0.711444 -2.138113 -0.453842
N 1.141435 0.132049 -0.187634
C 2.571235 -0.142715 -0.483723
C 0.831692 1.451497 0.410305
C 3.360566 -0.657553 0.744049
C 0.874508 2.634089 -0.586797
C 0.275229 -0.961274 -0.216104
C -1.202066 -0.750727 0.023023
C 4.848452 -0.887929 0.405311
C 0.596221 3.977361 0.121757
C -1.953873 0.277287 -0.602246
C -1.878535 -1.713704 0.816055
C -3.352795 0.353223 -0.419472
C -3.272617 -1.627078 1.014301
C -4.014788 -0.591348 0.398137
H 3.029132 0.788168 -0.868864
H 2.610881 -0.905466 -1.280366
H 1.566243 1.645757 1.220392
H -0.161088 1.403598 0.887908
H 3.274975 0.068249 1.577593
H 2.897531 -1.602553 1.080833
H 1.864997 2.673058 -1.080216
H 0.132450 2.467967 -1.390840
H 5.338496 0.048595 0.076496
H 5.402248 -1.267466 1.282744
H 4.957871 -1.630095 -0.407363
H 1.346540 4.175945 0.910204
H 0.629031 4.818920 -0.592853
H -0.401533 3.978727 0.599414
H -1.454903 0.997890 -1.258857
H -1.298199 -2.532494 1.253648
H -3.924590 1.142494 -0.920291
H -3.781822 -2.370508 1.637485
H -5.099171 -0.529450 0.543213


