%chk=000083082.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083082

0 1
 O    1.882800       1.552200     -0.5046000    
 N    2.562200     -0.5118000      0.3086000    
 N    3.896800     -0.1543000      0.3161000    
 C   -2.142400      0.4735000      0.1031000    
 C   0.2119000     -3.6899999E-02 -8.0300003E-02
 C  -0.8139000      0.8969000      6.6100001E-02
 C   -2.445100     -0.8837000     -5.9000002E-03
 C  -9.0800002E-02  -1.394100     -0.1896000    
 C   -1.419300      -1.817500     -0.1524000    
 C   -3.239400       1.472100      0.2585000    
 C    1.597300      0.4035000     -0.1197000    
 H  -0.5865000       1.956500      0.1582000    
 H   0.6746000      -2.151000     -0.3341000    
 H   -3.476000      -1.226600      2.1900000E-02
 H   -1.656000      -2.873700     -0.2437000    
 H   -2.990500       2.411100     -0.2475000    
 H   -4.173600       1.108600     -0.1829000    
 H   -3.411900       1.678500       1.319500    
 H    2.332700      -1.428300      0.6781000    
 H    4.224600     -0.2569000       1.275700    
 H    4.393800     -0.8584000     -0.2279000    


%chk=000083082-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083082

0 1
O 2.019851 1.446525 -0.271660
N 2.602966 -0.704652 0.372072
N 3.992991 -0.414384 0.452640
C -2.147842 0.475616 0.087321
C 0.227018 -0.193453 -0.012947
C -0.771737 0.805217 0.095110
C -2.510734 -0.890294 -0.049015
C -0.155075 -1.552775 -0.160809
C -1.524313 -1.893800 -0.177342
C -3.207111 1.553023 0.239481
C 1.663253 0.258266 0.005139
H -0.444695 1.848232 0.176569
H 0.596354 -2.337408 -0.308397
H -3.572109 -1.166508 -0.067131
H -1.824527 -2.939644 -0.305535
H -2.878163 2.508031 -0.205823
H -4.156993 1.258653 -0.240166
H -3.423415 1.746906 1.308095
H 2.325539 -1.606545 0.759102
H 4.139619 0.438880 1.013192
H 4.380423 -0.280185 -0.492697


