%chk=000097690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097690

0 1
 O  -0.5330000      -1.770500      0.1944000    
 O    1.297400      0.3866000      -1.798800    
 N   -1.670700      0.3070000      0.2324000    
 N   -1.335800       1.636600      0.3499000    
 C   0.6239000      0.3586000      0.4508000    
 C  -4.8500001E-02   1.695600      0.4766000    
 C  -0.5635000     -0.5542000      0.2824000    
 C    1.639900      0.2119000     -0.6281000    
 C   -3.000500     -4.9699999E-02  7.5700000E-02
 C   0.7093000       2.967200      0.6474000    
 C    3.025800     -0.1357000     -0.2789000    
 C   -3.360900      -1.396000     -5.3399999E-02
 C   -3.997100      0.9327000      4.4799998E-02
 C    3.271300     -0.9054000      0.8479000    
 C    4.063000      0.3120000      -1.082900    
 C   -4.699500      -1.754900     -0.2114000    
 C   -5.335800      0.5736000     -0.1130000    
 C    4.585700      -1.235300       1.178700    
 C    5.377300     -1.8100001E-02 -0.7522000    
 C   -5.687000     -0.7702000     -0.2409000    
 C    5.638600     -0.7918000      0.3785000    
 H    1.029500      0.2121000       1.454600    
 H    1.358500       3.125800     -0.2173000    
 H    1.322400       2.906000       1.550300    
 H   2.0500001E-02   3.811300      0.7372000    
 H   -2.656500      -2.216100     -3.9799999E-02
 H   -3.765300       1.990200      0.1413000    
 H    2.478100      -1.302100       1.473200    
 H    3.876100      0.9188000      -1.964400    
 H   -4.974500      -2.801000     -0.3111000    
 H   -6.105000       1.340100     -0.1362000    
 H    4.789200      -1.845300       2.054000    
 H    6.197400      0.3277000      -1.374700    
 H   -6.729200      -1.049800     -0.3638000    
 H    6.661800      -1.050400      0.6350000    


%chk=000097690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097690

0 1
O -0.085266 -1.422717 0.522780
O 1.799993 1.747618 -1.388750
N -1.539305 0.463750 0.309071
N -1.435658 1.897062 0.383704
C 0.726519 0.972473 0.661313
C -0.166677 2.196807 0.580916
C -0.304406 -0.181810 0.486146
C 1.861668 0.959897 -0.402103
C -2.834780 -0.108138 0.101873
C 0.296815 3.614974 0.679051
C 3.013786 0.031528 -0.201977
C -3.000381 -1.515289 0.004669
C -3.956783 0.754323 -0.008746
C 3.019229 -0.985598 0.791552
C 4.143240 0.181926 -1.055945
C -4.292483 -2.043637 -0.202279
C -5.238266 0.204801 -0.215171
C 4.142130 -1.827805 0.932648
C 5.263869 -0.655469 -0.906420
C -5.417071 -1.194809 -0.313119
C 5.267016 -1.661376 0.091938
H 1.185469 0.874329 1.663513
H 0.966895 3.844509 -0.169988
H 0.867790 3.788069 1.610545
H -0.564444 4.301136 0.651961
H -2.134543 -2.174416 0.091497
H -3.808935 1.833588 0.064634
H 2.136070 -1.156897 1.413984
H 4.113442 0.961663 -1.824134
H -4.415247 -3.129870 -0.277181
H -6.099924 0.876168 -0.300903
H 4.136860 -2.618404 1.690308
H 6.132469 -0.530815 -1.561826
H -6.415335 -1.615747 -0.473867
H 6.139143 -2.314525 0.208507


