%chk=000025202.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025202

1 1
 O    4.076900      -2.063600      6.0199998E-02
 N   -5.226500     -1.7700000E-02 -0.1216000    
 N    3.568600      0.2167000      0.3499000    
 C   -3.927300      0.1348000     -0.8164000    
 C   -2.771200      1.2300000E-02  0.1690000    
 C   -1.366000      0.1552000     -0.4264000    
 C  -0.2513000      8.9599997E-02  0.6201000    
 C    1.130400      0.1456000     -4.0300000E-02
 C    2.266800      0.1422000      0.9768000    
 C    4.150300       1.479800     -3.7599999E-02
 C   -5.359600      -1.420400      0.4901000    
 C   -5.365600       1.009600       1.011700    
 C   -6.396500      0.1882000      -1.095300    
 C    5.600100       1.124600     -0.3005000    
 C    5.542100     -0.3223000     -0.7754000    
 C    4.328900     -0.8746000     -6.4300001E-02
 H   -3.860000     -0.6335000      -1.595900    
 H   -3.912600       1.117900      -1.302300    
 H   -2.843900      0.7824000      0.9437000    
 H   -2.793700     -0.9568000      0.6773000    
 H   -1.217100     -0.6379000      -1.169700    
 H   -1.300400       1.109000     -0.9643000    
 H  -0.3407000     -0.8375000       1.198900    
 H  -0.3600000      0.9235000       1.323700    
 H    1.199500       1.049600     -0.6586000    
 H    1.246600     -0.7056000     -0.7230000    
 H    2.224600     -0.7888000       1.554100    
 H    2.171700      0.9763000       1.680600    
 H    3.646800       1.832300     -0.9434000    
 H    4.046100       2.218900      0.7616000    
 H    6.077600       1.792500      -1.022700    
 H    6.170400       1.177500      0.6355000    
 H   -5.141800      -2.157800     -0.2879000    
 H   -4.678400      -1.523600       1.337600    
 H   -6.388100      -1.539300      0.8457000    
 H   -5.116500       1.998200      0.6153000    
 H   -6.404400      0.9942000       1.357400    
 H   -4.716400      0.7342000       1.846400    
 H   -6.324100       1.200400      -1.503700    
 H   -6.308900     -0.5559000      -1.892300    
 H   -7.336200      5.9599999E-02 -0.5505000    
 H    6.443300     -0.8767000     -0.5029000    
 H    5.374300     -0.3827000      -1.855300    


%chk=000025202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025202

1 1
O 3.357125 -1.896424 -0.433032
N -5.324635 -0.155422 -0.099245
N 3.628753 0.316771 0.309978
C -3.888521 0.124006 -0.635894
C -2.764295 0.135945 0.409099
C -1.403107 0.398529 -0.292167
C -0.220431 0.381369 0.703104
C 1.143649 0.536285 -0.003599
C 2.327603 0.374541 0.984167
C 4.550535 1.461345 0.153493
C -5.396502 -1.532505 0.556827
C -5.740196 0.913676 0.908208
C -6.288010 -0.121087 -1.286693
C 5.863845 0.788934 -0.349125
C 5.395149 -0.531048 -1.015419
C 4.035477 -0.828144 -0.368202
H -3.699816 -0.656199 -1.395489
H -3.949947 1.099974 -1.150700
H -2.927579 0.924478 1.167905
H -2.697209 -0.833709 0.937312
H -1.229310 -0.376137 -1.066241
H -1.432737 1.374916 -0.817097
H -0.225739 -0.580245 1.256950
H -0.353657 1.184419 1.457411
H 1.204908 1.518599 -0.512624
H 1.248201 -0.249097 -0.775568
H 2.195029 -0.577746 1.533595
H 2.344452 1.199195 1.721049
H 4.157468 2.193519 -0.582386
H 4.690651 1.987342 1.115621
H 6.421785 1.445165 -1.036226
H 6.516770 0.565543 0.512040
H -5.053780 -2.291450 -0.162994
H -4.755928 -1.549475 1.449290
H -6.439215 -1.735309 0.846329
H -5.646130 1.904840 0.438773
H -6.785926 0.737592 1.204029
H -5.090990 0.856523 1.792607
H -6.238012 0.870122 -1.762352
H -5.994455 -0.896248 -2.010741
H -7.311557 -0.312480 -0.929748
H 6.084177 -1.376457 -0.859763
H 5.249908 -0.424046 -2.107179


