%chk=000149046.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149046

0 1
 O   0.6532000      -1.491700     -0.1117000    
 O    3.363000     -0.7986000       2.077900    
 O    2.205300      -2.220900      -1.672900    
 N    1.681000     -0.6996000      0.4584000    
 C    1.928500      0.6417000      3.5700001E-02
 C   0.8956000       1.422300     -0.4418000    
 C    3.223900       1.112600      0.1240000    
 C    1.168300       2.728700     -0.8478000    
 C  -0.4759000      0.9365000     -0.5417000    
 C    3.496500       2.418800     -0.2819000    
 C    2.468700       3.226900     -0.7679000    
 C   -1.419100       1.071400      0.4171000    
 C   -2.810400      0.5979000      0.3090000    
 C    2.432200      -1.310300       1.454200    
 C   -3.124100     -0.3786000     -0.6226000    
 C   -3.777700       1.138200       1.140800    
 C    2.041800      -2.735200       1.784800    
 C   -4.441000     -0.8266000     -0.7253000    
 C   -5.094600      0.6899000       1.038100    
 C   -5.426200     -0.2925000      0.1050000    
 C    1.077900      -2.213200      -1.197200    
 C  -6.6799998E-02  -3.017500      -1.734200    
 H    4.074500      0.5092000      0.4175000    
 H   0.3799000       3.372300      -1.231100    
 H  -0.7013000      0.4818000      -1.502400    
 H    4.511900       2.801700     -0.2372000    
 H    2.682000       4.242400      -1.088300    
 H   -1.157900       1.570000       1.348500    
 H   -2.387600     -0.8352000      -1.274600    
 H   -3.535100       1.905000       1.871600    
 H    2.553900      -3.046400       2.700800    
 H    2.345600      -3.406000      0.9777000    
 H   0.9657000      -2.815000       1.961300    
 H   -4.699000      -1.594900      -1.448500    
 H   -5.862000       1.105700       1.684400    
 H   -6.451400     -0.6423000      2.5800001E-02
 H   0.3206000      -3.802900      -2.389400    
 H  -0.6064000      -3.499800     -0.9145000    
 H  -0.7356000      -2.370200      -2.305200    


%chk=000149046-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149046

0 1
O 0.986553 -1.773250 -0.613482
O 2.891842 -1.172818 2.422018
O 3.078096 -2.054611 -1.677788
N 1.693276 -1.026402 0.454874
C 1.895714 0.372272 0.182851
C 0.769024 1.250241 0.074352
C 3.219667 0.841148 0.019907
C 1.042662 2.618601 -0.220057
C -0.591951 0.737551 0.287391
C 3.456793 2.202678 -0.248504
C 2.358875 3.089616 -0.376613
C -1.757312 1.412835 0.033681
C -3.125649 0.923652 0.265795
C 2.263943 -1.769935 1.504141
C -3.420365 -0.343162 0.852759
C -4.221094 1.754562 -0.111299
C 2.048403 -3.274657 1.461374
C -4.752543 -0.755899 1.047832
C -5.555383 1.341796 0.083759
C -5.829088 0.082173 0.664665
C 1.846159 -2.188076 -1.698991
C 0.978639 -2.758301 -2.795010
H 4.046153 0.131370 0.108348
H 0.211336 3.326924 -0.295660
H -0.642871 -0.283797 0.682483
H 4.482256 2.568198 -0.363885
H 2.534721 4.149795 -0.590010
H -1.701727 2.421881 -0.400284
H -2.604506 -1.005026 1.163029
H -4.015716 2.733833 -0.562181
H 2.363366 -3.687327 2.431048
H 2.666110 -3.729615 0.665749
H 0.994865 -3.535068 1.265446
H -4.957657 -1.731523 1.503096
H -6.379410 1.999498 -0.214559
H -6.863758 -0.242587 0.820136
H 1.564382 -3.468989 -3.397311
H 0.082684 -3.246632 -2.381252
H 0.641414 -1.935348 -3.451449


