%chk=000115648.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115648

0 1
 O  -0.9890000      0.9326000      -1.059100    
 N   9.2500001E-02 -0.8442000     -2.4599999E-02
 N   -6.025400      3.7099998E-02 -0.3730000    
 C    2.001000      0.4279000      0.9136000    
 C    1.443600     -0.4084000     -0.2733000    
 C    2.828100     -0.5482000       1.792500    
 C    2.392500      -1.568900     -0.3260000    
 C    3.171600      -1.644300      0.8327000    
 C    2.775000       1.642200      0.4139000    
 C    2.532800      -2.504400      -1.339700    
 C    4.098300      -2.659300       1.006500    
 C   -1.024800     -0.1291000     -0.4430000    
 C    2.110400       2.847100      0.1853000    
 C    4.147900       1.548700      0.1857000    
 C   -2.318800     -0.8052000     -2.0199999E-02
 C    3.472000      -3.524900      -1.177700    
 C    4.248900      -3.602200     -1.2000000E-02
 C   -3.577100     -5.5799998E-02 -0.4578000    
 C   -4.855700     -0.7242000      5.1300000E-02
 C    2.818600       3.958500     -0.2718000    
 C    4.856100       2.660300     -0.2713000    
 C    4.191400       3.865100     -0.5000000    
 C   -6.229400       1.195400      0.4984000    
 C   -7.218100     -0.8114000     -0.3779000    
 C   -7.405900       2.034700      2.9500000E-02
 C   -7.536400      -1.319000       1.018200    
 H    1.185700      0.8222000       1.537300    
 H    1.471800      0.1518000      -1.215700    
 H    3.705500     -9.8200001E-02   2.265300    
 H    2.189400     -0.9702000       2.578000    
 H  -4.7200002E-02  -1.695500      0.5133000    
 H    1.928600      -2.450800      -2.239100    
 H    4.696000      -2.724200       1.909400    
 H    1.040700       2.931800      0.3569000    
 H    4.702300      0.6282000      0.3331000    
 H   -2.327000      -1.818300     -0.4401000    
 H   -2.305400     -0.8972000       1.072800    
 H    3.600500      -4.268900      -1.959200    
 H    4.971900      -4.405700      9.9200003E-02
 H   -3.599200      4.9000001E-03  -1.553800    
 H   -3.500300      0.9745000     -9.3000002E-02
 H   -4.878000      -1.735700     -0.3758000    
 H   -4.801700     -0.8381000       1.141400    
 H    2.300900       4.896300     -0.4509000    
 H    5.924300       2.587100     -0.4531000    
 H    4.742600       4.730100     -0.8570000    
 H   -5.354000       1.851800      0.4393000    
 H   -6.334900      0.9442000       1.559800    
 H   -7.049300      -1.669300      -1.041900    
 H   -8.084800     -0.3016000     -0.8115000    
 H   -7.392800       3.002700      0.5429000    
 H   -8.370800       1.572400      0.2583000    
 H   -7.356000       2.237500      -1.046000    
 H   -6.717900      -1.879400       1.478800    
 H   -7.858900     -0.5301000       1.703300    
 H   -8.379000      -2.017900      0.9499000    


%chk=000115648-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115648

0 1
O -0.907519 1.233033 0.344887
N 0.076586 -0.864691 0.269401
N -6.019017 -0.183543 -0.262278
C 2.156586 0.356763 1.118426
C 1.409316 -0.330865 -0.101630
C 3.032697 -0.784531 1.724371
C 2.340460 -1.471940 -0.485975
C 3.263334 -1.735961 0.557902
C 2.930718 1.584847 0.630170
C 2.345986 -2.237007 -1.670025
C 4.208142 -2.774038 0.422832
C -1.009406 -0.030423 0.464374
C 2.205429 2.786593 0.404222
C 4.319171 1.568078 0.344159
C -2.327803 -0.713611 0.840060
C 3.296419 -3.278276 -1.807022
C 4.220511 -3.543483 -0.766709
C -3.511091 -0.174866 0.000281
C -4.872295 -0.651412 0.553926
C 2.856552 3.944602 -0.072477
C 4.972279 2.727185 -0.136783
C 4.245584 3.921194 -0.342728
C -6.325762 1.255379 -0.056231
C -7.195376 -1.089005 -0.211287
C -7.294427 1.831362 -1.105903
C -7.949741 -1.175675 1.145877
H 1.394991 0.700701 1.838676
H 1.250549 0.408115 -0.907297
H 3.969293 -0.409759 2.173282
H 2.481474 -1.303260 2.533948
H -0.030350 -1.875966 0.371184
H 1.637128 -2.023145 -2.478365
H 4.927907 -2.984089 1.222652
H 1.124359 2.794322 0.590469
H 4.900855 0.650179 0.485005
H -2.249822 -1.814704 0.744840
H -2.521121 -0.493250 1.910311
H 3.323941 -3.877103 -2.724214
H 4.954514 -4.348535 -0.887249
H -3.420871 -0.503372 -1.051867
H -3.446706 0.928045 0.000249
H -4.889053 -1.759760 0.553653
H -4.954108 -0.333194 1.626427
H 2.281428 4.863492 -0.234906
H 6.046728 2.695755 -0.352275
H 4.752766 4.819981 -0.711840
H -5.371353 1.807850 -0.125058
H -6.727904 1.454887 0.970689
H -6.842034 -2.099849 -0.493571
H -7.904886 -0.779584 -1.000739
H -7.377940 2.926736 -0.982381
H -8.311624 1.409371 -1.015110
H -6.921219 1.621125 -2.123949
H -7.279651 -1.508951 1.959539
H -8.380321 -0.199859 1.435774
H -8.781203 -1.901390 1.072384


