%chk=000112961.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112961

1 1
 O  -0.8106000     -0.8511000     -7.9999998E-04
 N   0.1412000      0.1588000     -1.3000000E-03
 C    1.606000     -0.1386000      1.9999999E-04
 C    2.254600      0.4687000       1.258300    
 C    2.255800      0.4599000      -1.261700    
 C    1.915200      -1.648500      5.2999998E-03
 C  -0.3771000       1.392300     -6.9999998E-04
 C   -1.986300     -0.1357000       0.000000    
 C   -1.784900       1.241600      1.9999999E-04
 C   -3.213900     -0.9474000      5.0000002E-04
 H    3.323900      0.2352000       1.309700    
 H    2.155700       1.559200       1.277000    
 H    1.777200      8.1699997E-02   2.165500    
 H    2.155200       1.550100      -1.288600    
 H    3.325500      0.2273000      -1.309900    
 H    1.779900      6.5499999E-02  -2.166600    
 H    2.993200      -1.843700      6.3999998E-03
 H    1.481900      -2.130600      0.8888000    
 H    1.482600      -2.136500     -0.8753000    
 H   0.2042000       2.301600     -7.9999998E-04
 H   -2.543600       2.009900      7.9999998E-04
 H   -4.106800     -0.3145000      1.3000000E-03
 H   -3.251800      -1.586500     -0.8870000    
 H   -3.250700      -1.586900      0.8878000    


%chk=000112961-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112961

1 1
O -0.771356 -0.771002 -0.000534
N 0.214643 0.272284 0.001705
C 1.691448 -0.125941 0.001006
C 2.320405 0.482779 1.281449
C 2.316562 0.471729 -1.286528
C 1.792773 -1.665827 0.007487
C -0.422776 1.458564 0.002720
C -2.025885 -0.130919 -0.000582
C -1.827696 1.249488 0.001426
C -3.215412 -1.022666 -0.002596
H 3.390608 0.217139 1.304365
H 2.252881 1.584807 1.295619
H 1.848495 0.080570 2.193677
H 2.248176 1.573532 -1.310157
H 3.386841 0.206438 -1.310225
H 1.842200 0.061249 -2.193797
H 2.863685 -1.928718 0.007195
H 1.334696 -2.107324 0.907492
H 1.332410 -2.115052 -0.887491
H 0.134312 2.393855 0.004315
H -2.595478 2.017687 0.001955
H -4.135017 -0.418193 -0.002282
H -3.224515 -1.675038 -0.894098
H -3.225602 -1.677642 0.886979


