%chk=000050680.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050680

0 1
 O   0.4019000      0.9750000      0.5818000    
 O   0.5976000      -1.140400       1.468400    
 N   -3.241100      0.5142000      0.3350000    
 N    6.410100      5.3700000E-02 -0.9451000    
 C   -4.122600     -6.9399998E-02 -0.6779000    
 C   -1.858900      0.4961000     -0.1155000    
 C   -5.581900     -3.1700000E-02 -0.1879000    
 C   -3.715800      -1.517200      -1.011400    
 C  -0.9578000       1.038600      0.9944000    
 C   -1.717100       1.302700      -1.406600    
 C   -6.072800       1.373600      0.1390000    
 C   -3.782400      -2.462700      0.1812000    
 C    1.064500     -0.1753000      0.8835000    
 C    2.468000     -0.1151000      0.4029000    
 C    3.097900      -1.286400      3.5700001E-02
 C    3.099000       1.110400      0.3389000    
 C    4.416800      -1.229900     -0.4152000    
 C    4.417900       1.167000     -0.1121000    
 C    5.076700     -3.1999999E-03 -0.4892000    
 H   -4.109900      0.5235000      -1.598900    
 H   -1.497600     -0.5186000     -0.3069000    
 H   -3.333300      1.5400000E-02   1.218400    
 H   -6.235300     -0.4604000     -0.9578000    
 H   -5.715000     -0.6371000      0.7154000    
 H   -4.411300      -1.898200      -1.771800    
 H   -2.734000      -1.580600      -1.490100    
 H   -1.109400      0.5052000       1.941700    
 H   -1.185200       2.093100       1.192200    
 H   -2.144100      0.7906000      -2.274300    
 H   -2.183600       2.290900      -1.318700    
 H  -0.6619000       1.468000      -1.651700    
 H   -5.530700       1.805500      0.9858000    
 H   -5.957100       2.038900     -0.7225000    
 H   -7.134700       1.347100      0.4045000    
 H   -3.122300      -2.152500      0.9960000    
 H   -4.797600      -2.574000      0.5704000    
 H   -3.456300      -3.460900     -0.1324000    
 H    2.593400      -2.246800      8.5500002E-02
 H    2.613000       2.033800      0.6393000    
 H    4.919200      -2.148700     -0.7069000    
 H    4.922500       2.128500     -0.1624000    
 H    6.888800      0.9429000     -0.9996000    
 H    6.888000     -0.7942000      -1.219200    


%chk=000050680-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050680

0 1
O 0.447544 1.063510 0.515624
O 0.566933 -1.122490 1.341416
N -3.228301 0.374065 0.282792
N 6.652048 -0.033869 -0.706705
C -4.317842 -0.083401 -0.622840
C -1.859324 0.519046 -0.273502
C -5.655191 -0.053867 0.161866
C -4.056513 -1.469279 -1.296433
C -0.993693 1.086107 0.874189
C -1.834630 1.462404 -1.491532
C -6.097778 1.373790 0.545058
C -3.869000 -2.645013 -0.311171
C 1.132400 -0.135657 0.798298
C 2.553833 -0.071425 0.396908
C 3.377245 -1.208019 0.625962
C 3.128888 1.078936 -0.209744
C 4.731090 -1.202435 0.264070
C 4.482782 1.095754 -0.575819
C 5.309576 -0.046522 -0.345184
H -4.401390 0.665836 -1.436093
H -1.410784 -0.458863 -0.572696
H -3.211271 -0.206902 1.135234
H -6.437128 -0.538605 -0.456162
H -5.556846 -0.670404 1.079612
H -4.902854 -1.686772 -1.979533
H -3.154611 -1.392839 -1.937409
H -1.138486 0.495140 1.797491
H -1.226797 2.147623 1.053788
H -2.319542 1.010180 -2.374799
H -2.357277 2.406614 -1.250629
H -0.788477 1.691740 -1.760654
H -5.297847 1.879379 1.113245
H -6.302351 1.978450 -0.359098
H -7.016940 1.361580 1.159721
H -3.012956 -2.470670 0.367723
H -4.769472 -2.808752 0.308646
H -3.665321 -3.583851 -0.857614
H 2.927190 -2.090070 1.093944
H 2.498965 1.955543 -0.385239
H 5.353278 -2.086754 0.447714
H 4.913994 1.989726 -1.042628
H 7.068603 0.785879 -1.139071
H 7.243853 -0.843441 -0.542847


