%chk=000051669.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051669

0 1
 O   -3.020700       2.952600      -1.030100    
 N    5.049100       1.999700       1.205300    
 N   -3.981100      -2.100400      0.9965000    
 C    3.217900     -0.1344000      0.3369000    
 C    4.585800      0.1051000     -0.3437000    
 C    2.730500       1.163700       1.000600    
 C    2.159400     -0.6463000     -0.6442000    
 C    5.575000      0.7561000      0.6373000    
 C    3.795800       1.756600       1.919500    
 C   0.8317000     -0.8975000      6.1799999E-02
 C    5.182600      -1.159900     -0.8860000    
 C  -0.2317000      -1.372300     -0.9308000    
 C   -1.562800      -1.592500     -0.2586000    
 C    5.462400      -1.361600      -2.178100    
 C   -2.510700     -0.5739000     -0.1502000    
 C   -1.811700      -2.853200      0.2511000    
 C   -3.727500     -0.8764000      0.4962000    
 C   -2.279500      0.7147000     -0.6608000    
 C   -3.030700      -3.054100      0.8664000    
 C   -4.678300      0.1343000      0.6084000    
 C   -3.247900       1.706500     -0.5346000    
 C   -4.448700       1.415600      0.1010000    
 C   -4.058900       3.917700     -0.8639000    
 H    3.349800     -0.8886000       1.126600    
 H    4.429400      0.8110000      -1.173300    
 H    1.848700      0.9883000       1.623900    
 H    2.451000       1.900200      0.2361000    
 H    2.492500      -1.581500      -1.108800    
 H    2.018000      7.9800002E-02  -1.454700    
 H    5.834300      6.5399997E-02   1.450600    
 H    6.514600      0.9879000      0.1207000    
 H    3.434900       2.705900       2.330500    
 H    3.976000       1.094000       2.774800    
 H   0.9653000      -1.639400      0.8590000    
 H   0.4531000      1.4500000E-02  0.5312000    
 H    4.875700       2.661100      0.4481000    
 H    5.396700      -1.959300     -0.1805000    
 H   0.1003000      -2.320100      -1.378300    
 H  -0.3154000     -0.6957000      -1.787900    
 H    5.892700      -2.301400      -2.506300    
 H    5.268900     -0.6015000      -2.926800    
 H   -1.091200      -3.660400      0.1823000    
 H   -1.349900      0.9877000      -1.151100    
 H   -3.288100      -4.020100       1.288400    
 H   -5.626900     -6.9300003E-02   1.102200    
 H   -5.250000       2.133800      0.2377000    
 H   -4.247900       4.126700      0.1945000    
 H   -4.969300       3.625000      -1.397900    
 H   -3.708300       4.850900      -1.316600    


%chk=000051669-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051669

0 1
O -3.044913 2.915068 -1.025128
N 5.293957 1.959001 1.287392
N -4.136275 -2.233661 0.993578
C 3.228719 0.000803 0.350124
C 4.608066 0.133777 -0.379229
C 2.849406 1.340261 1.036021
C 2.124693 -0.493883 -0.620058
C 5.684452 0.702964 0.615764
C 3.981338 1.849130 1.966368
C 0.770464 -0.803137 0.056588
C 5.095440 -1.184080 -0.939641
C -0.235065 -1.471649 -0.926057
C -1.594847 -1.715567 -0.297864
C 5.511362 -1.405428 -2.213088
C -2.576279 -0.657219 -0.167657
C -1.933604 -2.972985 0.215974
C -3.834422 -0.973723 0.486840
C -2.369064 0.668356 -0.653338
C -3.198654 -3.188344 0.849820
C -4.822332 0.049720 0.622754
C -3.359889 1.648770 -0.505417
C -4.602013 1.340832 0.140381
C -4.045035 3.978606 -0.899739
H 3.351490 -0.766839 1.149011
H 4.492528 0.862762 -1.210403
H 1.919870 1.216878 1.625077
H 2.641066 2.103338 0.255876
H 2.487234 -1.406385 -1.135059
H 1.973730 0.268765 -1.414310
H 5.876893 -0.058684 1.399369
H 6.634984 0.863115 0.075791
H 3.721084 2.833491 2.397003
H 4.100001 1.142382 2.812989
H 0.929817 -1.479975 0.920381
H 0.318767 0.121320 0.462757
H 5.317444 2.758534 0.638167
H 5.146489 -2.013557 -0.213283
H 0.191567 -2.434298 -1.266713
H -0.330595 -0.833177 -1.826206
H 5.893651 -2.381444 -2.533280
H 5.480347 -0.614249 -2.973223
H -1.227833 -3.807610 0.136255
H -1.438779 0.949062 -1.155446
H -3.449545 -4.178044 1.250599
H -5.759220 -0.221062 1.119135
H -5.377304 2.103621 0.257181
H -4.270219 4.199716 0.161621
H -4.980460 3.720499 -1.433066
H -3.583615 4.859228 -1.370210


