%chk=000030989.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030989

0 1
 O    4.531700      0.1051000      4.6399999E-02
 N  -0.2131000      0.2134000     -0.1746000    
 N    3.995700       1.449100     -8.8600002E-02
 C  -5.5599999E-02  -1.199300     -0.2226000    
 C   -1.415400      0.9643000     -0.2391000    
 C   -2.368200      -1.781100      0.8399000    
 C   -2.436100     -0.4539000       1.577600    
 C    1.005500       1.037700     -0.2160000    
 C   -1.038900      -2.125800      0.2024000    
 C   -2.511500      0.6748000      0.5904000    
 C    1.879600      0.7723000       1.009200    
 C    3.148600       1.627000       1.084400    
 C    1.134600      -1.748200     -0.7712000    
 C   -1.542800       2.042500      -1.141800    
 C  -0.8128000      -3.515100      3.6300000E-02
 C   -3.685300       1.445600      0.5116000    
 C    1.346700      -3.122500     -0.9070000    
 C   -2.711800       2.802100      -1.216200    
 C   0.3668000      -4.009900     -0.5063000    
 C   -3.784300       2.503600     -0.3873000    
 C    5.166400       2.318100     -2.7400000E-02
 H    1.540800      0.9075000      -1.163400    
 H   0.7745000       2.110700     -0.1720000    
 H   -2.601000      -2.558200       1.580800    
 H   -3.146000      -1.836800      6.6699997E-02
 H   -3.329400     -0.4491000       2.214900    
 H   -1.580600     -0.3131000       2.249900    
 H    2.167100     -0.2803000       1.094100    
 H    1.285100      0.9775000       1.910400    
 H    3.688700       1.390800       2.010800    
 H    2.842900       2.678800       1.155200    
 H    1.933500      -1.118300      -1.152700    
 H  -0.7354000       2.290100      -1.828500    
 H   -1.573600      -4.229700      0.3468000    
 H   -4.533500       1.222200       1.154300    
 H    2.272500      -3.488800      -1.340600    
 H   -2.782700       3.621200      -1.925800    
 H   0.5142000      -5.079600     -0.6149000    
 H   -4.696300       3.090200     -0.4409000    
 H    5.757600       2.162100      0.8825000    
 H    4.865700       3.370600     -6.9499999E-02
 H    5.814400       2.135800     -0.8916000    
 H    4.223200     -0.2761000     -0.7932000    


%chk=000030989-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030989

0 1
O 4.118086 -0.517422 0.732293
N -0.258718 0.518102 0.000152
N 3.896289 0.801153 0.019574
C 0.046195 -0.866142 -0.221473
C -1.577944 1.067996 -0.174168
C -2.159027 -1.839738 0.870985
C -2.433216 -0.507122 1.609734
C 0.867814 1.490845 0.054885
C -0.813070 -1.955606 0.152273
C -2.664476 0.616701 0.626222
C 1.792158 1.255008 1.280313
C 3.242637 1.700293 1.022440
C 1.294054 -1.181016 -0.850823
C -1.786944 2.113665 -1.112905
C -0.390684 -3.278639 -0.142852
C -3.937300 1.209775 0.454083
C 1.681929 -2.507435 -1.127287
C -3.058341 2.707149 -1.260003
C 0.831431 -3.577988 -0.775885
C -4.143787 2.253508 -0.476048
C 5.261520 1.258616 -0.337244
H 1.475496 1.478649 -0.872949
H 0.418992 2.495160 0.129343
H -2.220021 -2.673368 1.597586
H -2.980913 -2.004638 0.144518
H -3.321665 -0.631180 2.255511
H -1.572096 -0.271293 2.265242
H 1.803691 0.183805 1.548020
H 1.388582 1.793609 2.158088
H 3.821188 1.707380 1.972799
H 3.268763 2.723185 0.595408
H 1.961358 -0.371123 -1.162777
H -0.955791 2.443984 -1.745586
H -1.053382 -4.102377 0.153353
H -4.771259 0.858402 1.074343
H 2.633256 -2.696052 -1.639162
H -3.202770 3.508466 -1.993446
H 1.114031 -4.615468 -0.981692
H -5.134785 2.706934 -0.586750
H 5.923071 1.367740 0.550022
H 5.175942 2.234912 -0.847705
H 5.713016 0.530387 -1.028596
H 3.408193 -1.101513 0.343563


