%chk=000051991.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051991

0 1
 O   -2.697800      -1.946600      0.3505000    
 O   0.9806000       2.740000     -0.2043000    
 N   3.5000001E-03  -1.171300      0.1789000    
 C   -1.033500     -0.2305000      0.1337000    
 C  -0.7375000       1.136300      1.1000000E-03
 C    1.360200     -0.8320000      9.7599998E-02
 C    1.741800      0.5135000     -3.5599999E-02
 C   0.6851000       1.557800     -8.8600002E-02
 C   -2.371700     -0.6291000      0.2200000    
 C   -1.760400       2.088100     -4.5800000E-02
 C    2.352900      -1.816500      0.1478000    
 C    3.091200      0.8690000     -0.1174000    
 C   -3.394400      0.3200000      0.1736000    
 C   -3.089200       1.674400      4.0700000E-02
 C    3.701000      -1.463300      6.5899998E-02
 C    4.068500     -0.1244000     -6.6200003E-02
 C   -2.900300      -2.685100     -0.8520000    
 H  -0.2405000      -2.147700      0.2813000    
 H   -1.543200       3.147500     -0.1483000    
 H    2.084100      -2.865100      0.2507000    
 H    3.397800       1.905900     -0.2205000    
 H   -4.433900      9.8999999E-03  0.2413000    
 H   -3.888800       2.408700      5.2000000E-03
 H    4.465800      -2.233600      0.1054000    
 H    5.118900      0.1451000     -0.1293000    
 H   -3.754700      -2.284300      -1.406600    
 H   -3.113900      -3.723500     -0.5843000    
 H   -2.003300      -2.663600      -1.479100    


%chk=000051991-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051991

0 1
O -2.279008 -2.148434 -0.345510
O 1.061762 2.886500 0.115817
N 0.194567 -1.182094 -0.117982
C -0.847893 -0.261725 -0.155031
C -0.599379 1.137638 -0.076916
C 1.529529 -0.794303 -0.006712
C 1.854430 0.598030 0.074186
C 0.793530 1.639115 0.044204
C -2.189469 -0.743781 -0.275132
C -1.699078 2.039786 -0.117812
C 2.562975 -1.773000 0.025526
C 3.219469 0.976775 0.184865
C -3.263129 0.156954 -0.313579
C -3.009241 1.557906 -0.233369
C 3.902359 -1.368497 0.135678
C 4.238664 0.012803 0.215796
C -3.615433 -2.734030 -0.476479
H -0.057802 -2.171149 -0.181594
H -1.477104 3.109315 -0.055297
H 2.306974 -2.837604 -0.036510
H 3.435781 2.048680 0.244762
H -4.292774 -0.202247 -0.402908
H -3.853285 2.254406 -0.264069
H 4.694368 -2.125352 0.159752
H 5.286922 0.316444 0.301374
H -4.245634 -2.481075 0.397519
H -3.455075 -3.821126 -0.519186
H -4.108725 -2.390336 -1.405692


