%chk=000050673.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050673

0 1
 O    1.330000      -1.029800      0.2807000    
 O   -2.029700      -2.355400      0.6228000    
 O  -0.3380000       1.800000      -1.097900    
 O   -4.509200       1.494900      0.7741000    
 N   -3.238200     -0.4143000      0.6856000    
 N   -2.414200       1.612100     -0.1561000    
 C  -0.9674000     -0.3775000     -0.2651000    
 C  -0.5835000      -1.073000      -1.578300    
 C   0.1641000     -0.4352000      0.7225000    
 C    4.920400      7.0500001E-02 -0.1425000    
 C    3.664500     -0.8152000     -0.1740000    
 C   -2.107600      -1.150000      0.3766000    
 C   -1.193300       1.097400     -0.5551000    
 C    2.409400     -0.1187000      0.3380000    
 C   -1.744900      -1.085600      -2.549100    
 C    4.691900       1.326600     -0.9864000    
 C    5.316700      0.4689000       1.279800    
 C   -3.457800      0.9357000      0.4572000    
 C   8.6700000E-02  4.8599999E-02   1.967200    
 H  -0.2788000      -2.113600      -1.403700    
 H   0.2651000     -0.5730000      -2.063900    
 H    5.745800     -0.5020000     -0.5835000    
 H    3.839600      -1.724500      0.4155000    
 H    3.484800      -1.165600      -1.198900    
 H    2.590600      0.2156000       1.363700    
 H    2.175500      0.7515000     -0.2854000    
 H   -2.600600      -1.651000      -2.167700    
 H   -2.083200     -7.6099999E-02  -2.802100    
 H   -1.436400      -1.565500      -3.484400    
 H   -3.998600     -0.9241000       1.126700    
 H   -2.565200       2.600700     -0.3369000    
 H    5.636000       1.868400      -1.114300    
 H    3.985300       2.021400     -0.5218000    
 H    4.322900       1.070200      -1.985100    
 H    4.589500       1.144000       1.741400    
 H    6.282700      0.9860000       1.273100    
 H    5.417800     -0.4155000       1.917300    
 H   0.9023000     -3.6600001E-02   2.676500    
 H  -0.8164000      0.5252000       2.334400    


%chk=000050673-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050673

0 1
O 1.278703 -0.292367 -0.233985
O -2.261845 -2.143303 1.041476
O -0.811437 1.241189 -2.125800
O -4.427412 1.949326 0.700444
N -3.271646 -0.075000 0.874130
N -2.552157 1.583648 -0.647110
C -1.128616 -0.481725 -0.383221
C -0.797403 -1.606434 -1.416585
C 0.105759 -0.120720 0.493015
C 5.056601 0.405716 -0.235230
C 3.639290 -0.070078 -0.666534
C -2.245759 -0.986260 0.555250
C -1.471009 0.825435 -1.142875
C 2.547185 0.159475 0.382395
C -1.988914 -1.972580 -2.324456
C 5.130920 1.939573 -0.031668
C 5.581944 -0.348092 1.011869
C -3.477468 1.210897 0.340032
C 0.022040 0.357720 1.765281
H -0.466297 -2.491109 -0.845874
H 0.052084 -1.252639 -2.020967
H 5.728105 0.153201 -1.082176
H 3.671227 -1.150743 -0.904969
H 3.340749 0.457414 -1.592548
H 2.724263 -0.428949 1.304551
H 2.446138 1.229679 0.651527
H -2.844813 -2.366510 -1.746473
H -2.329940 -1.105814 -2.920253
H -1.684725 -2.759774 -3.036742
H -3.983265 -0.394436 1.540173
H -2.716377 2.495272 -1.086643
H 6.177001 2.261712 0.124266
H 4.552881 2.264078 0.854473
H 4.736447 2.480971 -0.911740
H 5.003247 -0.086782 1.918133
H 6.637869 -0.087272 1.210307
H 5.523051 -1.444177 0.874885
H 0.905449 0.622365 2.350323
H -0.943272 0.462592 2.264220


