%chk=000050701.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050701

0 1
 O   0.1072000      0.1183000     -0.2547000    
 O  -0.3932000      -2.117700     -0.4766000    
 N    3.743600      0.7421000     -0.6213000    
 N   -6.089300      0.6352000      0.5305000    
 C    2.344100       1.122600     -0.3894000    
 C    1.489500     -0.1564000     -0.4501000    
 C    1.932900       2.119900      -1.481200    
 C    2.227100       1.793100      0.9873000    
 C    4.190700     -0.1963000      0.3929000    
 C    5.643400     -0.5937000      0.1436000    
 C    6.130000      -1.593700       1.181100    
 C  -0.7262000     -0.9572000     -0.2925000    
 C   -2.134400     -0.5384000     -7.7500001E-02
 C   -3.145200      -1.270700     -0.6656000    
 C   -2.388800      0.5696000      0.7048000    
 C   -4.468300     -0.8779000     -0.4628000    
 C   -3.711800      0.9624000      0.9077000    
 C   -4.751500      0.2387000      0.3239000    
 H    1.746900     -0.8640000      0.3421000    
 H    1.617000     -0.6534000      -1.421000    
 H    3.842500      0.3236000      -1.546200    
 H   0.8975000       2.452900      -1.347600    
 H    2.008800       1.673200      -2.479500    
 H    2.569800       3.012400      -1.465800    
 H    2.996100       2.561700       1.129900    
 H    1.256600       2.295100       1.086000    
 H    2.284300       1.084300       1.820000    
 H    4.149400      0.2278000       1.400500    
 H    3.635000      -1.136400      0.3856000    
 H    5.749200      -1.037800     -0.8539000    
 H    6.286800      0.2942000      0.1726000    
 H    6.070100      -1.173900       2.190300    
 H    5.533700      -2.511400       1.154000    
 H    7.173200      -1.862200      0.9872000    
 H   -2.937100      -2.139700      -1.282700    
 H   -1.598300       1.141800       1.181200    
 H   -5.269700      -1.449800     -0.9234000    
 H   -3.919900       1.832400       1.525400    
 H   -6.294900       1.446100       1.098800    
 H   -6.843500      0.1124000      0.1056000    


%chk=000050701-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050701

0 1
O 0.017225 0.135319 -0.237522
O -0.585548 -2.057423 -0.759992
N 3.771689 0.625032 -0.421188
N -6.342317 0.728837 0.467114
C 2.339340 0.994538 -0.213439
C 1.438689 -0.248248 -0.455637
C 2.003102 2.093333 -1.248708
C 2.131581 1.540929 1.218171
C 4.420175 -0.378565 0.453233
C 5.921454 -0.489687 0.113122
C 6.651081 -1.527412 0.992586
C -0.925282 -0.891087 -0.425143
C -2.311642 -0.432961 -0.186173
C -3.371620 -1.366614 -0.348535
C -2.627285 0.898478 0.199750
C -4.704458 -0.989893 -0.134570
C -3.957767 1.287047 0.416982
C -5.021999 0.348119 0.253249
H 1.686888 -1.072344 0.238303
H 1.548922 -0.621017 -1.492662
H 3.964571 0.438439 -1.415908
H 0.936928 2.370561 -1.189941
H 2.206645 1.741727 -2.279647
H 2.624201 2.986447 -1.062664
H 2.849742 2.357290 1.409603
H 1.104125 1.926240 1.328944
H 2.276996 0.758290 1.984880
H 4.315872 -0.049909 1.504302
H 3.967409 -1.399225 0.388928
H 6.033438 -0.768657 -0.955920
H 6.382535 0.509480 0.228388
H 6.580466 -1.260430 2.063951
H 6.213928 -2.536191 0.868175
H 7.723001 -1.589489 0.731236
H -3.120189 -2.390427 -0.645569
H -1.815479 1.620286 0.327131
H -5.510558 -1.722198 -0.264161
H -4.187036 2.317600 0.714526
H -6.573732 1.679260 0.741936
H -7.101791 0.063723 0.352070


