%chk=000170045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170045

0 1
 O    2.406600       2.067200      3.3700000E-02
 O    3.417500     -0.4824000     -0.4174000    
 N  -0.9666000      -2.355900      0.1616000    
 N   -4.294000      0.7368000     -0.3565000    
 C  -0.6262000      5.2700002E-02  0.3578000    
 C   -2.077600      0.2695000      0.6387000    
 C  -0.1189000      -1.226800      0.1314000    
 C   -2.883500      0.5014000     -0.6460000    
 C   0.2256000       1.156700      0.3241000    
 C    1.240300      -1.402200     -0.1287000    
 C    1.584700      0.9812000      6.3900001E-02
 C    2.092000     -0.2982000     -0.1625000    
 H   -2.500400     -0.5528000       1.227800    
 H   -2.184700       1.147400       1.292000    
 H   -2.800600     -0.3644000      -1.312500    
 H   -2.488200       1.363500      -1.195500    
 H  -0.1690000       2.155100      0.4980000    
 H    1.642800      -2.396900     -0.3061000    
 H   -1.968600      -2.263200      0.2413000    
 H  -0.5747000      -3.272200     -1.4500000E-02
 H   -4.384600       1.539700      0.2653000    
 H   -4.673000     -5.7700001E-02  0.1578000    
 H    1.882600       2.866900      0.2119000    
 H    3.855300      0.3864000     -0.4027000    


%chk=000170045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170045

0 1
O 2.640220 2.018878 0.084459
O 3.478127 -0.485594 -0.512377
N -0.987553 -2.316689 0.091807
N -4.413214 0.619867 -0.392990
C -0.626219 0.101703 0.425182
C -2.101111 0.342642 0.702108
C -0.131559 -1.204459 0.106191
C -2.971681 0.406392 -0.602178
C 0.286159 1.187509 0.423476
C 1.245458 -1.385550 -0.204183
C 1.643065 1.003149 0.112455
C 2.124770 -0.292252 -0.204179
H -2.524274 -0.440571 1.368657
H -2.232402 1.298826 1.245368
H -2.834655 -0.525101 -1.182688
H -2.584493 1.223264 -1.239285
H -0.086670 2.190547 0.673235
H 1.644991 -2.375343 -0.448792
H -1.956194 -2.236865 0.380905
H -0.615824 -3.243835 -0.089208
H -4.655562 1.523484 0.023952
H -4.903772 -0.155673 0.061701
H 2.262588 2.903230 0.302217
H 3.936605 0.394243 -0.462930


