%chk=000083683.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083683

0 1
 O  -0.1017000      -3.445300     -5.0000002E-04
 O   -1.057800       2.488900     -1.3000000E-03
 O   -2.525100      -2.648700     -6.0000003E-04
 O   -3.478400       3.284800      3.9999999E-04
 O    7.426200      0.7196000     -5.0000002E-04
 N    1.438300       1.908800      1.1000000E-03
 N   -5.043300      -2.056500     -9.9999997E-05
 C  -0.3715000      0.2334000     -3.0000001E-04
 C  -0.7625000      -1.107200     -3.0000001E-04
 C   -3.206800     -0.3944000      9.9999997E-05
 C   -2.815800      0.9463000     -3.0000001E-04
 C   0.9889000      0.5640000      9.9999997E-05
 C   -1.383900       1.309100     -6.0000003E-04
 C   -2.194400      -1.470100      3.9999999E-04
 C    1.951700     -0.4457000      6.0000003E-04
 C   0.2070000      -2.117300     -3.0000001E-04
 C    1.561600      -1.783400      1.9999999E-04
 C   -4.567200     -0.7251000      6.9999998E-04
 C   -3.785300       1.956300     -5.0000002E-04
 C    3.371800     -0.1436000      3.0000001E-04
 C   -5.530100      0.2846000      1.0000000E-03
 C   -5.139900       1.622400      1.9999999E-04
 C    4.048200      7.9999998E-04  -1.207700    
 C    4.048900      3.0000001E-04   1.208300    
 C    5.412600      0.2911000      -1.208000    
 C    5.413300      0.2908000       1.208000    
 C    6.095100      0.4363000     -1.9999999E-04
 H    2.314400      -2.569800      3.0000001E-04
 H   -6.590800      4.5100000E-02  1.3000000E-03
 H   -5.906100       2.393400      3.9999999E-04
 H    2.423300       2.133000       0.000000    
 H   0.7748000       2.670200     -7.9999998E-04
 H    3.530500     -0.1088000      -2.157500    
 H    3.531700     -0.1097000       2.158400    
 H   -4.401600      -2.836200      1.6000000E-03
 H   -6.039000      -2.235700      1.8000000E-03
 H   0.7155000      -3.972400     -3.9999999E-04
 H    5.932100      0.4022000      -2.155900    
 H    5.939500      0.4027000       2.152100    
 H   -4.296700       3.810100      5.0000002E-04
 H    7.734100      0.7853000     -0.9208000    


%chk=000083683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083683

0 1
O -0.167660 -3.523644 0.003481
O -1.043199 2.554826 -0.003286
O -2.645676 -2.733643 -0.003761
O -3.513351 3.348923 0.002884
O 7.588428 0.753876 0.053120
N 1.415784 1.884995 -0.003852
N -5.106248 -2.063612 0.003783
C -0.413017 0.230427 -0.001482
C -0.825472 -1.151780 -0.000317
C -3.271055 -0.410005 0.001538
C -2.862132 0.973202 0.001301
C 0.990980 0.576339 -0.003086
C -1.416591 1.316694 -0.000929
C -2.269113 -1.496207 0.000043
C 1.976489 -0.476417 -0.004757
C 0.174360 -2.164649 0.000462
C 1.550625 -1.806063 -0.002293
C -4.675151 -0.755024 0.003247
C -3.859716 1.990898 0.003030
C 3.438866 -0.141970 -0.009839
C -5.639869 0.300465 0.004959
C -5.237708 1.633560 0.004895
C 4.143302 0.014277 -1.231503
C 4.154571 0.022809 1.208067
C 5.524131 0.310429 -1.244162
C 5.532206 0.318198 1.211162
C 6.216547 0.461081 -0.018298
H 2.311159 -2.598933 -0.002340
H -6.706437 0.048082 0.006531
H -5.997528 2.426969 0.006365
H 2.413221 2.090295 -0.000307
H 0.667520 2.601683 -0.001517
H 3.607155 -0.102868 -2.179637
H 3.624791 -0.088434 2.160535
H -4.361776 -2.784389 0.004277
H -6.101241 -2.276490 0.005951
H 0.663008 -4.067895 0.007312
H 6.052515 0.421295 -2.199978
H 6.089033 0.439597 2.144805
H -4.342235 3.895914 0.005578
H 7.982085 0.836787 -0.850782


