%chk=000047147.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047147

0 1
 O    1.744000      -1.027200      -1.600800    
 N   -1.375400     -2.1900000E-02 -0.1531000    
 N   0.2131000      -1.659400      0.5461000    
 C   -1.633900       1.068200      0.7890000    
 C   -2.412100     -0.4596000      -1.089900    
 C   -3.027500       1.026300       1.410100    
 C   -3.282500      0.6710000      -1.631700    
 C   -4.077600       1.738100      0.5616000    
 C   -4.458800       1.006700     -0.7188000    
 C  -0.1652000     -0.6391000     -0.1549000    
 C   0.8786000     -2.3000000E-02  -1.094900    
 C    1.679200       1.048500     -0.3890000    
 C  -0.7692000      -2.240700       1.450900    
 C    1.232800       2.358700     -0.4223000    
 C    2.841800      0.6971000      0.2756000    
 C  -0.1548000      -3.422100       2.191400    
 C    1.021700      -2.052200      -2.271800    
 C    1.971000       3.347000      0.2286000    
 C    3.580000       1.685600      0.9266000    
 C    1.051700      -3.024300       3.029700    
 C    1.998600      -3.088200      -2.785700    
 C    3.144600       3.010500      0.9031000    
 H  -0.9034000       1.010800       1.606400    
 H   -1.474600       2.032100      0.2964000    
 H   -1.925100     -0.9391000      -1.948700    
 H   -3.028300      -1.234400     -0.6191000    
 H   -2.980400       1.552700       2.372000    
 H   -3.337200     -1.9000000E-03   1.630900    
 H   -3.703700      0.3368000      -2.588600    
 H   -2.687600       1.565900      -1.848400    
 H   -4.985400       1.865600       1.164400    
 H   -3.730400       2.749400      0.3155000    
 H   -5.162600       1.638600      -1.274800    
 H   -5.005200      8.9199997E-02 -0.4672000    
 H   0.3661000      0.4342000      -1.952600    
 H   -1.640300      -2.601900      0.8924000    
 H   -1.110700      -1.500900       2.184300    
 H   0.3343000       2.637900     -0.9638000    
 H    3.192900     -0.3297000      0.3169000    
 H  -0.9129000      -3.871100       2.843300    
 H   0.1511000      -4.191500       1.472500    
 H   0.2994000      -2.569300      -1.637200    
 H   0.4827000      -1.617200      -3.121700    
 H    1.634800       4.379500      0.2059000    
 H    4.492600       1.423400       1.454000    
 H   0.7864000      -2.247800       3.754300    
 H    1.868700      -2.648800       2.405800    
 H    1.426300      -3.890900       3.583900    
 H    1.478700      -3.880900      -3.331100    
 H    2.736000      -2.627300      -3.451300    
 H    2.554900      -3.536900      -1.955900    
 H    3.719700       3.780300       1.409400    


%chk=000047147-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047147

0 1
O 1.508446 -1.101569 -1.559138
N -1.774426 -0.432419 0.074359
N 0.211956 -1.585079 0.923964
C -2.427940 -0.181858 1.387093
C -2.566451 -0.298136 -1.172791
C -3.619422 0.801824 1.352334
C -2.742186 1.145777 -1.717324
C -3.380323 2.136892 0.603294
C -3.702048 2.045713 -0.908054
C -0.408683 -0.824107 0.057522
C 0.472116 -0.189900 -1.057809
C 1.200135 1.052203 -0.546441
C -0.477419 -2.426945 1.922160
C 1.049249 2.298751 -1.199696
C 2.071298 0.955657 0.568177
C 0.444691 -3.598947 2.328129
C 0.959564 -2.305979 -2.201195
C 1.743687 3.441836 -0.740170
C 2.770320 2.093960 1.023275
C 1.739782 -3.124053 3.017162
C 2.145811 -3.119051 -2.719002
C 2.605875 3.342111 0.375018
H -2.787584 -1.121768 1.856042
H -1.645643 0.231087 2.052858
H -2.087915 -0.923721 -1.948490
H -3.566169 -0.747029 -1.001385
H -3.868699 1.004225 2.413140
H -4.513633 0.305282 0.924225
H -3.112459 1.074079 -2.761215
H -1.747926 1.628019 -1.761479
H -4.026190 2.918142 1.049823
H -2.332795 2.469039 0.749020
H -3.685298 3.062062 -1.349737
H -4.741661 1.672795 -1.022964
H -0.181280 0.104606 -1.906360
H -1.436353 -2.829401 1.522802
H -0.726153 -1.846053 2.837205
H 0.403596 2.375773 -2.083860
H 2.181013 -0.016980 1.058487
H -0.120785 -4.275703 3.001176
H 0.700109 -4.178269 1.419549
H 0.370670 -2.888738 -1.462403
H 0.283073 -2.009850 -3.037512
H 1.619124 4.401258 -1.255273
H 3.445784 2.010537 1.882646
H 1.515600 -2.585174 3.958239
H 2.282901 -2.434636 2.347841
H 2.403413 -3.973752 3.261417
H 1.796544 -4.046396 -3.209586
H 2.731775 -2.532249 -3.447413
H 2.810857 -3.392006 -1.881786
H 3.148954 4.224938 0.731822


