%chk=000094871.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094871

0 1
 O    2.306200      -2.379400     -2.4999999E-03
 O   -4.088200      0.4619000     -2.7000001E-03
 N    2.572500     -3.7300002E-02  3.0000001E-04
 N   -2.171800     -0.9117000      7.9999998E-04
 C    1.261000      0.4443000      3.0000001E-04
 C    1.002700       1.815100       0.000000    
 C   -1.113300     -2.9000000E-03  6.9999998E-04
 C   0.2030000     -0.4648000      6.9999998E-04
 C  -0.3135000       2.276900      9.9999997E-05
 C   -1.371400       1.367900      3.9999999E-04
 C    2.116100       2.811800     -5.0000002E-04
 C    3.002900      -1.369600      5.0000002E-04
 C   -3.546300     -0.6388000      6.0000003E-04
 C    4.507700      -1.469700      3.9999999E-04
 C   -4.367500      -1.903800      8.9999998E-04
 H   0.3328000      -1.537700      1.2000001E-03
 H  -0.5316000       3.341700       0.000000    
 H   -2.362100       1.800600      6.9999998E-04
 H    2.736800       2.696700      0.8943000    
 H    2.736700       2.695900     -0.8952000    
 H    1.739600       3.840700     -8.9999998E-04
 H    3.307100      0.6652000      3.9999999E-04
 H   -1.903100      -1.893500      1.1000000E-03
 H    4.909000      -1.004200     -0.9042000    
 H    4.809300      -2.520500      2.3200000E-02
 H    4.913300     -0.9656000      0.8821000    
 H   -4.159200      -2.479500     -0.9052000    
 H   -5.432000      -1.654800      2.7200000E-02
 H   -4.122600      -2.505200      0.8808000    


%chk=000094871-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094871

0 1
O 2.295667 -2.377896 0.005217
O -4.158627 0.453488 -0.000359
N 2.580273 -0.042903 0.002669
N -2.240855 -0.903945 0.003702
C 1.235454 0.433502 0.002143
C 1.032504 1.850676 0.000448
C -1.189343 0.057932 0.002453
C 0.133597 -0.451608 0.003208
C -0.299370 2.318836 -0.000256
C -1.416338 1.457128 0.000671
C 2.201063 2.822474 -0.000543
C 3.048538 -1.358863 0.003435
C -3.621682 -0.692955 0.001866
C 4.574681 -1.467316 -0.001756
C -4.438404 -1.986925 -0.001947
H 0.329486 -1.527508 0.004725
H -0.472682 3.401531 -0.001544
H -2.436779 1.841315 0.000286
H 2.844649 2.710690 0.895940
H 2.845028 2.708491 -0.896487
H 1.836105 3.862454 -0.001911
H 3.299276 0.683279 0.001377
H -1.933215 -1.879790 0.005256
H 5.005821 -1.014776 -0.914034
H 4.849810 -2.531126 0.026622
H 5.019036 -0.962152 0.875801
H -4.242099 -2.581170 -0.913664
H -5.505958 -1.726775 0.026424
H -4.201537 -2.616391 0.875759


