%chk=000047454.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047454

0 1
 O    5.149100     -0.2821000     -0.6288000    
 O    2.098100       2.863600       1.610500    
 N   -4.889900      0.6194000     -0.2756000    
 N   5.3700000E-02  -1.942900      0.4137000    
 N    3.329000       1.584700      9.4599999E-02
 C   -3.647100     -2.4400000E-02 -0.1021000    
 C   -1.177200      -1.304900      0.2421000    
 C   -3.496300     -0.9938000      0.8895000    
 C   -2.568900      0.3082000     -0.9222000    
 C    1.306300      -1.447500      0.1680000    
 C   -2.267200      -1.631100       1.060700    
 C   -1.339800     -0.3290000     -0.7507000    
 C    1.599200     -0.1405000      0.2808000    
 C    2.333100      -2.399500     -0.2252000    
 C   -6.124600     -7.1300000E-02  3.9299998E-02
 C   -4.948000       1.985100     -0.7580000    
 C    2.966300      0.3489000      7.4999998E-03
 C    3.599900      -2.067300     -0.4958000    
 C    4.009700     -0.6554000     -0.3976000    
 C    2.373200       2.503400      0.4674000    
 C    1.641300       3.076300     -0.7179000    
 H   -4.312000      -1.267000       1.552800    
 H   -2.658800       1.044900      -1.715500    
 H   7.8999996E-03  -2.905300      0.7325000    
 H   -2.162800      -2.382600       1.839800    
 H  -0.5346000     -6.8899997E-02  -1.432800    
 H   0.8520000      0.5700000      0.6130000    
 H    2.042800      -3.444300     -0.3031000    
 H   -6.313300     -5.6600001E-02   1.117900    
 H   -6.103100      -1.110600     -0.3076000    
 H   -6.980200      0.4063000     -0.4514000    
 H   -4.823100       2.018000      -1.845400    
 H   -5.913800       2.446500     -0.5233000    
 H   -4.178600       2.609200     -0.2892000    
 H    4.337400      -2.805100     -0.7867000    
 H    2.336100       3.662200      -1.325800    
 H   0.8391000       3.733600     -0.3698000    
 H    1.198000       2.283500      -1.325400    


%chk=000047454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047454

0 1
O 5.267874 -0.489128 -0.222926
O 1.779227 2.849036 1.035963
N -5.226334 0.441144 -0.122209
N -0.082436 -1.987326 0.125001
N 3.353816 1.553495 -0.148845
C -3.960986 -0.145686 -0.073472
C -1.338211 -1.327993 0.055275
C -3.726482 -1.356428 0.656843
C -2.842231 0.434573 -0.755075
C 1.212520 -1.480829 0.025575
C -2.445778 -1.923864 0.718469
C -1.565167 -0.143069 -0.695166
C 1.558359 -0.127657 -0.001288
C 2.259924 -2.512131 -0.014491
C -6.351313 -0.174743 0.593594
C -5.431195 1.685760 -0.876276
C 2.938423 0.289095 -0.091080
C 3.586854 -2.185950 -0.084212
C 4.035456 -0.775712 -0.139132
C 2.591354 2.705883 0.063490
C 2.937536 3.844084 -0.887789
H -4.543387 -1.850197 1.189251
H -2.968639 1.345654 -1.345473
H -0.140844 -2.986654 0.337430
H -2.297350 -2.839387 1.305512
H -0.752636 0.315697 -1.263271
H 0.806224 0.651842 0.131474
H 1.950369 -3.566838 0.008059
H -6.159147 -0.237736 1.683912
H -6.564932 -1.197898 0.222865
H -7.256796 0.433599 0.445448
H -5.213374 1.553861 -1.955500
H -6.480757 2.003907 -0.780118
H -4.790179 2.505581 -0.494492
H 4.372014 -2.948547 -0.112723
H 3.926148 4.257264 -0.615834
H 2.180569 4.640105 -0.810731
H 3.014407 3.480896 -1.927858


