%chk=000056533.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056533

0 1
 O   0.8009000      0.3727000      0.4731000    
 O  -5.8800001E-02  -2.520100      -1.052400    
 N  -0.5198000      -2.734400       1.183800    
 C  -0.5434000      0.4209000      0.2096000    
 C   -1.197900       1.649100      0.1929000    
 C   -1.244400     -0.7554000     -3.8800001E-02
 C   -2.565900       1.701100     -7.4800000E-02
 C    1.676600      0.4644000     -0.6424000    
 C   -2.612400     -0.7032000     -0.3066000    
 C  -0.4586000       2.919100      0.4580000    
 C   -3.273100      0.5250000     -0.3245000    
 C    3.099500      0.3385000     -0.1767000    
 C  -0.5762000      -2.049400     -2.5400000E-02
 C    3.478700     -0.9453000      0.5037000    
 C    3.994600       1.317000     -0.3795000    
 H   -3.094000       2.650700     -9.4300002E-02
 H    1.516200       1.418600      -1.158600    
 H    1.465000     -0.3358000      -1.361300    
 H   -3.174400      -1.612700     -0.5032000    
 H   -1.139700       3.719500      0.7675000    
 H   0.2668000       2.794600       1.268800    
 H   6.4700000E-02   3.249200     -0.4446000    
 H   -4.338000      0.5658000     -0.5335000    
 H    3.273900      -1.797100     -0.1532000    
 H    2.906100      -1.073900       1.427800    
 H    4.541800     -0.9752000      0.7648000    
 H    3.719700       2.240100     -0.8788000    
 H    5.023400       1.218600     -4.9400002E-02
 H  -0.9298000      -2.361600       2.034200    
 H  -6.0199998E-02  -3.636300       1.251600    


%chk=000056533-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056533

0 1
O 0.880793 0.467762 0.502918
O 0.578959 -2.308619 -0.649620
N -1.004285 -3.075382 0.860434
C -0.499606 0.461589 0.211361
C -1.199745 1.701631 0.183740
C -1.194434 -0.773801 0.072351
C -2.606047 1.676474 0.010796
C 1.794493 0.541271 -0.687987
C -2.603196 -0.762419 -0.095176
C -0.451961 3.009496 0.356347
C -3.307040 0.459152 -0.133472
C 3.217477 0.412514 -0.191851
C -0.451246 -2.087537 0.058483
C 3.514230 -0.804804 0.658743
C 4.156574 1.328044 -0.549788
H -3.154293 2.626161 -0.006285
H 1.633494 1.503850 -1.212112
H 1.530274 -0.307634 -1.347751
H -3.138138 -1.709613 -0.229852
H -1.099257 3.781402 0.807027
H 0.437849 2.867464 0.992124
H -0.100147 3.401871 -0.617903
H -4.393129 0.462798 -0.273989
H 3.178655 -1.726489 0.146970
H 2.943866 -0.751458 1.604404
H 4.589255 -0.885261 0.893964
H 3.905392 2.209023 -1.153153
H 5.206338 1.215515 -0.255448
H -1.758175 -2.872274 1.514381
H -0.565648 -3.996225 0.868140


