%chk=000058337.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058337

0 1
 O   0.7357000      0.5862000      0.5741000    
 N   -2.905900      0.1558000      0.1881000    
 C   -3.111900     -0.8589000       1.223000    
 C   -4.013200       1.104400      0.1714000    
 C   -1.635500      0.8505000      0.4040000    
 C   -4.404800      -1.629400      0.9608000    
 C   -3.791500       2.159900     -0.9106000    
 C  -0.4754000     -0.1318000      0.3782000    
 C   -4.628600      -2.709900       2.019400    
 C   -4.952900       3.153400     -0.9595000    
 C    1.863000     -0.2790000      0.5604000    
 C   -5.931400      -3.457900       1.785800    
 C   -4.723200       4.228100      -2.010200    
 C    3.139900      0.4553000      0.9209000    
 C    1.951600     -0.9971000     -0.7701000    
 C    4.156800     -0.2349000       1.554300    
 C    2.511500      -2.261400     -0.8182000    
 C    3.255500       1.796900      0.6076000    
 C    1.470900     -0.3724000      -1.907000    
 C    5.331200      0.4407000       1.886300    
 C    2.593600      -2.922700      -2.043700    
 C    4.429900       2.472500      0.9394000    
 C    1.552800      -1.033700      -3.132500    
 C    5.467800       1.794300       1.578800    
 C    2.114200      -2.308900      -3.200700    
 H   -2.325800      -1.618200       1.209000    
 H   -3.131000     -0.4122000       2.225500    
 H   -4.956900      0.6185000     -9.0599999E-02
 H   -4.143400       1.588600       1.148000    
 H   -1.628900       1.418500       1.343800    
 H   -1.407900       1.560600     -0.3961000    
 H   -4.380000      -2.086700     -3.6300000E-02
 H   -5.283600     -0.9796000       1.007000    
 H   -3.668800       1.682900      -1.891000    
 H   -2.900500       2.764200     -0.7176000    
 H  -0.5376000     -0.8340000       1.214500    
 H  -0.5214000     -0.7048000     -0.5506000    
 H   -4.649600      -2.256800       3.017500    
 H   -3.797000      -3.424100       2.004600    
 H   -5.078900       3.630500      1.9600000E-02
 H   -5.886200       2.624600      -1.185300    
 H    1.687900      -1.022700       1.352300    
 H   -6.067600      -4.229200       2.550400    
 H   -6.788800      -2.779000       1.832700    
 H   -5.932800      -3.946700      0.8063000    
 H   -5.568600       4.922800      -2.032300    
 H   -3.817400       4.803400      -1.793300    
 H   -4.620100       3.786800      -3.006600    
 H    4.061100      -1.287300       1.803700    
 H    2.882900      -2.752500      7.6099999E-02
 H    2.464000       2.341300      0.1016000    
 H    1.057700      0.6319000      -1.890500    
 H    6.138900     -8.6900003E-02   2.385000    
 H    3.029700      -3.915900      -2.096700    
 H    4.537400       3.526000      0.6981000    
 H    1.186100     -0.5531000      -4.034800    
 H    6.382200       2.320200       1.836900    
 H    2.179300      -2.823100      -4.155200    


%chk=000058337-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058337

0 1
O 0.784717 0.436544 0.716045
N -2.953762 0.361050 0.722798
C -3.401764 -0.378109 1.931863
C -3.946485 1.345659 0.222731
C -1.581434 0.909482 0.852010
C -4.415374 -1.499714 1.620556
C -3.834655 1.597634 -1.295870
C -0.539582 -0.134847 0.425614
C -4.893102 -2.239252 2.891305
C -4.851985 2.646241 -1.801497
C 1.901657 -0.459816 0.357677
C -5.908117 -3.361247 2.583418
C -4.740390 2.901134 -3.320304
C 3.170221 0.110450 1.000879
C 2.011694 -0.632589 -1.159414
C 4.432888 -0.446709 0.674217
C 1.810991 -1.897760 -1.760324
C 3.103867 1.156147 1.952507
C 2.288153 0.487351 -1.984544
C 5.609366 0.030413 1.291803
C 1.893319 -2.050284 -3.164622
C 4.283576 1.639041 2.564941
C 2.365433 0.340597 -3.385140
C 5.539335 1.077393 2.240976
C 2.170501 -0.930286 -3.980081
H -2.509468 -0.834702 2.402380
H -3.837877 0.314813 2.697478
H -4.957333 0.950042 0.437032
H -3.869093 2.322391 0.766909
H -1.354084 1.247291 1.890439
H -1.472386 1.793793 0.199718
H -3.943747 -2.214070 0.917794
H -5.295961 -1.079338 1.093794
H -3.983956 0.635282 -1.822955
H -2.809349 1.936598 -1.548395
H -0.671853 -1.081813 0.995236
H -0.649661 -0.359927 -0.653446
H -5.349521 -1.509550 3.591481
H -4.016095 -2.668032 3.418762
H -4.700637 3.599295 -1.253784
H -5.880271 2.307984 -1.557861
H 1.700326 -1.463671 0.802390
H -6.232324 -3.878954 3.504948
H -6.810375 -2.954175 2.089108
H -5.469212 -4.118161 1.906306
H -5.478252 3.650509 -3.661534
H -3.732701 3.272862 -3.585787
H -4.913865 1.969899 -3.891751
H 4.495931 -1.247152 -0.072770
H 1.588677 -2.767656 -1.128449
H 2.127264 1.582027 2.196357
H 2.439402 1.467585 -1.518566
H 6.578449 -0.409750 1.030300
H 1.737836 -3.035403 -3.618824
H 4.220708 2.452815 3.296761
H 2.579386 1.211494 -4.015225
H 6.452296 1.450982 2.718615
H 2.233175 -1.043830 -5.068305


