%chk=000096785.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096785

0 1
 O   1.3200000E-02  0.3473000       1.325200    
 N    2.471500     -0.1346000      0.2930000    
 N   -2.257600     -0.1164000     -0.3194000    
 N  -0.9596000     -7.3899999E-02 -0.7451000    
 C    2.503200       1.302500      2.4100000E-02
 C    3.714200     -0.7653000     -0.1509000    
 C    1.321300     -0.7527000     -0.3655000    
 C    1.231400       1.966300      0.5444000    
 C    2.669300       1.535200      -1.474200    
 C    3.702400      -2.253400      0.1874000    
 C    4.901000     -6.4300001E-02  0.5025000    
 C   7.0500001E-02 -0.1006000      0.1810000    
 C   -2.972600      -1.258800     -0.1326000    
 C   -3.010500      0.9777000     -2.4800001E-02
 C   -4.228300     -0.8889000      0.2959000    
 C   -4.252300      0.5261000      0.3644000    
 C   -2.416500      -2.607200     -0.3729000    
 C   -2.500300       2.361100     -0.1326000    
 H    3.318600       1.797500      0.5621000    
 H    3.847500     -0.7250000      -1.238200    
 H    1.353800     -0.7399000      -1.459000    
 H    1.210900      -1.801400     -6.6000000E-02
 H    1.492500       3.042300      0.4710000    
 H   0.3620000       2.033700     -0.1137000    
 H    1.121200       1.953100       1.636800    
 H    3.618100       1.181700      -1.885000    
 H    2.676500       2.618400      -1.656700    
 H    1.849200       1.152900      -2.087900    
 H    4.696200      -2.690100      3.3300001E-02
 H    3.431600      -2.428600       1.235000    
 H    3.020300      -2.824100     -0.4508000    
 H    5.127500      0.9078000      5.3700000E-02
 H    5.811100     -0.6631000      0.3757000    
 H    4.757600      6.5200001E-02   1.581700    
 H  -0.8217000     -0.3467000      -1.713700    
 H   -5.040300      -1.562100      0.5344000    
 H   -5.085900       1.145400      0.6654000    
 H   -2.054000      -2.703900      -1.401400    
 H   -1.586000      -2.813000      0.3101000    
 H   -3.176800      -3.379400     -0.2148000    
 H   -1.852000       2.599400      0.7159000    
 H   -1.940600       2.513300      -1.060900    
 H   -3.326800       3.079900     -0.1294000    


%chk=000096785-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096785

0 1
O 0.000084 -0.725881 1.215259
N 2.493968 0.151889 -0.132776
N -2.411132 -0.320275 -0.236859
N -1.126029 -0.198767 -0.763907
C 2.835418 1.582267 -0.373328
C 3.603947 -0.841206 0.014765
C 1.323873 -0.337892 -0.862991
C 1.634941 2.499194 -0.044342
C 3.393931 1.871960 -1.799071
C 3.110970 -2.080782 0.801979
C 4.828041 -0.248597 0.747373
C 0.033743 -0.430311 -0.002580
C -3.123124 -1.536553 -0.133229
C -3.159441 0.751737 0.301160
C -4.348156 -1.218138 0.456963
C -4.371350 0.202164 0.725093
C -2.532204 -2.841939 -0.576720
C -2.619119 2.150287 0.354570
H 3.626468 1.835668 0.353350
H 3.952994 -1.189257 -0.993794
H 1.109872 0.279809 -1.764468
H 1.511976 -1.361500 -1.245661
H 1.946949 3.559168 -0.078844
H 0.805250 2.377650 -0.766300
H 1.252500 2.273641 0.966265
H 4.276491 1.242584 -2.016311
H 3.698262 2.931398 -1.890112
H 2.635647 1.676925 -2.581584
H 3.929740 -2.818736 0.895242
H 2.774093 -1.773367 1.806764
H 2.259047 -2.587218 0.315140
H 5.333118 0.549015 0.174476
H 5.567258 -1.051980 0.915610
H 4.531038 0.153274 1.733591
H -1.052354 0.064075 -1.750781
H -5.137513 -1.933946 0.682521
H -5.182707 0.761616 1.188904
H -2.251690 -2.840215 -1.648346
H -1.626422 -3.098157 0.005943
H -3.268813 -3.647785 -0.424455
H -1.674167 2.203439 0.928379
H -2.421754 2.572291 -0.651059
H -3.352846 2.805855 0.851672


