%chk=000099794.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099794

0 1
 O   0.2652000       1.489500     -0.2461000    
 N   -2.017500     -0.2682000     -0.3589000    
 C   -2.427000     -0.2701000       1.052500    
 C   -2.929600      -1.079200      -1.177700    
 C   -3.845400      0.2785000       1.216400    
 C   -4.364300     -0.5573000      -1.086600    
 C   -4.841300     -0.4951000      0.3600000    
 C  -0.6433000     -0.7507000     -0.4937000    
 C   0.3309000      0.1587000      0.2649000    
 C    1.757800     -0.3274000      0.1354000    
 C    2.254600      -1.221300       1.068500    
 C    2.535900      0.1314000     -0.9135000    
 C    1.122500       2.361700      0.4739000    
 C    3.570000      -1.669800      0.9491000    
 C    3.851300     -0.3172000      -1.032900    
 C    1.012100       3.754200     -0.1096000    
 C    4.368300      -1.217800     -0.1015000    
 H   -1.804600      0.3864000       1.665000    
 H   -2.368000      -1.279900       1.479200    
 H   -2.901200      -2.132200     -0.8680000    
 H   -2.620100      -1.040400      -2.229300    
 H   -3.865600       1.338500      0.9322000    
 H   -4.144900      0.2243000       2.269300    
 H   -5.031100      -1.204000      -1.668000    
 H   -4.420100      0.4437000      -1.533100    
 H   -4.949600      -1.513200      0.7538000    
 H   -5.828500     -2.2800000E-02  0.4109000    
 H  -0.5508000      -1.788000     -0.1451000    
 H  -0.3728000     -0.7404000      -1.558200    
 H   0.1093000      0.1874000       1.336900    
 H    1.639900      -1.580900       1.888500    
 H    2.152100      0.8060000      -1.673400    
 H   0.7947000       2.398400       1.520200    
 H    2.179600       2.090200      0.4690000    
 H    3.972400      -2.371900       1.673500    
 H    4.470800      2.8500000E-02  -1.855300    
 H    1.630100       4.463600      0.4481000    
 H    1.329700       3.757800      -1.157600    
 H  -2.6600000E-02   4.100600     -9.0000004E-02
 H    5.391800      -1.568600     -0.1957000    


%chk=000099794-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099794

0 1
O 0.401166 1.563349 -0.574613
N -1.976625 -0.311929 -0.135818
C -2.427870 -1.035522 1.075530
C -2.949639 -0.417246 -1.248615
C -3.791043 -0.506984 1.566202
C -4.327538 0.134526 -0.826257
C -4.844453 -0.590663 0.437886
C -0.584706 -0.630724 -0.510939
C 0.440197 0.304597 0.182201
C 1.844823 -0.301624 0.209026
C 2.267902 -1.082631 1.313014
C 2.723265 -0.135638 -0.890926
C 0.954745 2.708615 0.166263
C 3.542420 -1.693687 1.318327
C 3.998936 -0.742670 -0.887588
C 0.815726 3.940127 -0.728601
C 4.412320 -1.526239 0.215612
H -1.666776 -0.908244 1.869397
H -2.512190 -2.139440 0.878420
H -3.076545 -1.481220 -1.587267
H -2.556481 0.160108 -2.104992
H -3.671348 0.547303 1.882182
H -4.116540 -1.090146 2.449566
H -5.042900 0.019475 -1.663569
H -4.224258 1.216417 -0.615176
H -5.039803 -1.656671 0.196513
H -5.805137 -0.153987 0.770891
H -0.321601 -1.690595 -0.278407
H -0.453885 -0.495161 -1.600623
H 0.097861 0.486127 1.226150
H 1.599750 -1.209983 2.175058
H 2.397887 0.484985 -1.733544
H 0.387652 2.840017 1.114325
H 2.019308 2.519332 0.423514
H 3.858787 -2.292902 2.179942
H 4.671272 -0.604524 -1.742325
H 1.199591 4.839189 -0.212411
H 1.383780 3.805467 -1.665672
H -0.243776 4.107899 -0.988224
H 5.402428 -1.996103 0.218647


