%chk=000065977.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065977

0 1
 O    1.538300      -2.627500      0.8722000    
 O    2.569600      -2.011700      -1.053200    
 O    3.325500      0.8958000       1.566800    
 O   -4.181300       1.213900      0.9439000    
 N    2.068200      0.6171000     -0.3732000    
 N   -3.116100     -3.3500001E-02 -0.7094000    
 C  -0.1816000     -0.3674000     -0.6000000    
 C  -0.9003000      0.9744000     -0.4362000    
 C    1.168700     -0.3968000      0.1157000    
 C   -2.225500      0.9875000      -1.189400    
 C    1.852500      -1.732500     -0.1009000    
 C    3.074100       1.178900      0.3983000    
 C   -4.023900      0.1663000      0.3222000    
 C    3.882500       2.194100     -0.3644000    
 C   -4.850600      -1.058600      0.6078000    
 H  -0.8025000      -1.183000     -0.2093000    
 H  -3.8400002E-02 -0.5722000      -1.669500    
 H   -1.073200       1.167600      0.6295000    
 H  -0.2779000       1.791600     -0.8179000    
 H    1.037300     -0.2437000       1.193800    
 H   -2.705600       1.965500      -1.075800    
 H   -2.065800      0.8106000      -2.258300    
 H    2.005900      0.8746000      -1.354400    
 H   -3.077300     -0.9433000      -1.160000    
 H    4.468200       2.797700      0.3345000    
 H    4.558800       1.677700      -1.050900    
 H    3.224500       2.858300     -0.9320000    
 H    1.963200      -3.498300      0.7186000    
 H   -5.369200     -0.9382000       1.562900    
 H   -5.587400      -1.194000     -0.1886000    
 H   -4.210900      -1.943900      0.6670000    


%chk=000065977-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065977

0 1
O 1.335879 -2.994751 0.334343
O 2.969750 -2.201768 -1.113741
O 2.115705 1.749627 1.379733
O -4.398182 1.480654 0.679045
N 2.345262 0.417578 -0.512317
N -3.086113 -0.040352 -0.501795
C -0.013163 -0.503984 -0.652360
C -0.717789 0.822426 -0.297468
C 1.416577 -0.608259 -0.028198
C -2.108300 0.962444 -0.958532
C 2.015400 -1.977706 -0.334826
C 2.673672 1.524524 0.262833
C -4.172578 0.291804 0.299777
C 3.733304 2.447954 -0.326889
C -5.079603 -0.873529 0.691187
H -0.600484 -1.363837 -0.276218
H 0.067888 -0.606789 -1.754401
H -0.819236 0.917128 0.799238
H -0.091640 1.671683 -0.630912
H 1.324642 -0.477383 1.067158
H -2.543169 1.945019 -0.705529
H -2.011192 0.901569 -2.061592
H 2.898473 0.185959 -1.341610
H -2.962081 -1.013899 -0.781707
H 3.294322 3.448514 -0.484032
H 4.552790 2.564034 0.402700
H 4.150552 2.087815 -1.282727
H 1.736972 -3.875954 0.101853
H -5.115526 -0.945617 1.791850
H -6.105857 -0.661890 0.344956
H -4.756473 -1.846015 0.279980


