%chk=000045998.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045998

1 1
 O    1.257000     -0.1130000      0.7539000    
 O    1.509600      0.3877000      -1.492400    
 N   -4.224700     -0.6899000     -0.2104000    
 N    3.368000      0.3540000     -9.6299998E-02
 C    6.128700     -0.4502000      0.1596000    
 C    5.466000     -0.2964000      -1.208800    
 C    5.095700     -0.7967000       1.231400    
 C    4.314300      0.7033000      -1.155600    
 C    3.948300      0.2104000       1.243100    
 C   -2.808000     -0.5246000      4.1900001E-02
 C   -2.285900      0.7167000      0.4054000    
 C   -4.570500      -2.155000     -0.5978000    
 C   -4.714100      0.2355000      -1.359700    
 C   -5.153100     -0.3596000      0.9993000    
 C   -1.963000      -1.627400     -8.2300000E-02
 C    2.004600      0.2249000     -0.3777000    
 C   -3.169800       1.912700      0.5460000    
 C  -0.9187000      0.8553000      0.6445000    
 C  -0.1138000     -0.2516000      0.5133000    
 C  -0.5959000      -1.488800      0.1570000    
 C   -2.574700       3.152500     -0.1144000    
 H    6.895300      -1.231600      0.1157000    
 H    6.635600      0.4847000      0.4283000    
 H    6.206900      2.6699999E-02  -1.948200    
 H    5.085600      -1.272600      -1.534600    
 H    4.696800      -1.799400       1.033600    
 H    5.575700     -0.8266000       2.215700    
 H    4.690100       1.710200     -0.9386000    
 H    3.811500      0.7424000      -2.127100    
 H    3.197700     -9.7599998E-02   1.975600    
 H    4.312000       1.199800       1.545100    
 H   -4.049200      -2.416900      -1.524600    
 H   -4.334800      -2.816800      0.2421000    
 H   -5.649500      -2.203000     -0.7856000    
 H   -5.506800      0.9047000      -1.011800    
 H   -3.872500      0.7737000      -1.806200    
 H   -5.144100     -0.3980000      -2.143700    
 H   -4.848000      -1.011900       1.824400    
 H   -5.099300      0.6765000       1.317900    
 H   -6.183200     -0.5930000      0.7088000    
 H   -2.278900      -2.626500     -0.3568000    
 H   -4.163500       1.868600      0.1310000    
 H   -3.296000       2.117700       1.617300    
 H  -0.4814000       1.798800      0.9529000    
 H   6.3800000E-02  -2.345500      6.2300000E-02
 H   -1.678900       3.515200      0.3985000    
 H   -3.301700       3.972200     -8.6800002E-02
 H   -2.322200       2.965700      -1.164000    


%chk=000045998-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045998

1 1
O 1.316115 -0.409492 0.480688
O 1.737781 1.738295 -0.465731
N -4.423633 -0.681658 0.063696
N 3.468849 0.427667 0.435684
C 6.188644 -0.500828 -0.089289
C 5.627344 0.772836 -0.763880
C 5.046852 -1.491148 0.238537
C 4.527630 1.422203 0.104656
C 3.951545 -0.815039 1.094531
C -2.891517 -0.517277 0.136082
C -2.267820 0.767774 0.098387
C -4.866049 -2.149414 0.054914
C -4.976195 -0.071512 -1.233731
C -5.079276 -0.047661 1.301453
C -2.109088 -1.691349 0.272625
C 2.179803 0.706784 0.099545
C -2.907872 2.151780 -0.084730
C -0.852380 0.808671 0.207051
C -0.073421 -0.362765 0.328695
C -0.711384 -1.623554 0.362996
C -2.632050 2.750994 -1.492597
H 6.937412 -0.982686 -0.743502
H 6.713773 -0.221141 0.847061
H 6.431101 1.513935 -0.929487
H 5.204519 0.519714 -1.755339
H 4.595892 -1.866325 -0.700832
H 5.436583 -2.366795 0.790508
H 4.963526 1.785805 1.057303
H 4.050867 2.272658 -0.406762
H 3.099785 -1.486586 1.264403
H 4.374205 -0.533076 2.080760
H -4.432317 -2.663191 -0.814525
H -4.558467 -2.639779 0.988686
H -5.964177 -2.164758 -0.018942
H -6.067859 -0.216178 -1.254098
H -4.740120 0.995440 -1.279926
H -4.504667 -0.590465 -2.081191
H -4.698661 -0.568514 2.192224
H -4.817068 1.013974 1.362092
H -6.172118 -0.163734 1.225859
H -2.557353 -2.684819 0.306787
H -3.993296 2.177881 0.109482
H -2.461763 2.828387 0.667635
H -0.350167 1.777079 0.171901
H -0.110226 -2.530834 0.461888
H -1.547902 2.826360 -1.681020
H -3.061290 3.765380 -1.566817
H -3.063092 2.134260 -2.302526


