%chk=000016447.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016447

0 1
 O    3.363700      -1.784000      2.0000001E-03
 N    1.092100      -1.156200     -6.0000003E-04
 C  -3.4800000E-02   1.003400       0.000000    
 C    1.136100      0.2419000     -5.0000002E-04
 C   -1.340500      0.3799000      1.9999999E-04
 C   4.5499999E-02   2.397700      5.0000002E-04
 C    2.380800      0.8716000     -6.9999998E-04
 C   -1.970100      7.9899997E-02  -1.207800    
 C   -1.969400      7.8400001E-02   1.208300    
 C    1.290300       3.027400      3.9999999E-04
 C    2.457800       2.264400     -1.9999999E-04
 C   -3.228700     -0.5214000      -1.207900    
 C   -3.228100     -0.5231000       1.208100    
 C   -3.857700     -0.8229000       0.000000    
 C    2.166600      -2.052200     -8.9999998E-04
 C    1.696300      -3.485000     -1.0000000E-03
 H  -0.8535000       3.010100      1.1000000E-03
 H    3.332100      0.3605000     -1.5000000E-03
 H   -1.493500      0.3075000      -2.158400    
 H   -1.492300      0.3048000       2.158900    
 H   0.1656000      -1.574900     -6.0000003E-04
 H    1.350400       4.111800      6.9999998E-04
 H    3.426300       2.756300     -3.9999999E-04
 H   -3.719000     -0.7552000      -2.148400    
 H   -3.717800     -0.7582000       2.148500    
 H   -4.837500      -1.291300       0.000000    
 H    1.114400      -3.683000      0.9035000    
 H    2.557800      -4.158100     -2.3900000E-02
 H    1.076900      -3.672400     -0.8827000    


%chk=000016447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016447

0 1
O 3.356871 -1.824127 -0.005407
N 1.111500 -1.122213 -0.001831
C 0.013677 1.054611 0.000176
C 1.228989 0.296605 -0.000783
C -1.324205 0.365469 -0.000185
C 0.087982 2.466379 0.001348
C 2.483745 0.962936 -0.000680
C -1.970987 0.038058 -1.222928
C -1.970749 0.036114 1.222158
C 1.333998 3.133300 0.001536
C 2.524729 2.372983 0.000522
C -3.235964 -0.593836 -1.223483
C -3.235734 -0.595770 1.221962
C -3.871777 -0.912523 -0.000950
C 2.119376 -2.090194 -0.003344
C 1.584641 -3.524081 0.000985
H -0.845649 3.040022 0.002078
H 3.397930 0.366756 -0.001805
H -1.481503 0.291463 -2.170264
H -1.481107 0.288058 2.169805
H 0.147011 -1.468755 -0.000866
H 1.371633 4.227697 0.002384
H 3.498003 2.876576 0.000551
H -3.724351 -0.833226 -2.174787
H -3.723950 -0.836657 2.172976
H -4.853288 -1.399599 -0.001246
H 0.992524 -3.726557 0.912730
H 2.438025 -4.216514 -0.028273
H 0.938432 -3.715271 -0.875682


