%chk=000056973.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056973

0 1
 O  -0.9139000      7.8199998E-02  -1.249600    
 O    1.270300       2.321600      -1.153200    
 N    1.799000      0.1426000     -0.4626000    
 N    2.310200       1.811000      0.8846000    
 N    2.714100      0.6682000       1.507900    
 C    1.333600     -0.6772000      -1.565100    
 C    2.390300     -0.2783000      0.6757000    
 C  -0.1134000      -1.092100      -1.352100    
 C    2.642900      -1.725900      0.9327000    
 C    1.730400       1.516900     -0.3565000    
 C    4.003500      -2.130100      0.4031000    
 C   -2.047200     -1.3400000E-02 -0.4846000    
 C   -2.707600      -1.231900     -0.3761000    
 C   -2.524900       1.113400      0.1747000    
 C   -3.861400      -1.324800      0.4019000    
 C   -3.678800       1.020400      0.9528000    
 C   -4.347000     -0.1988000       1.066400    
 H    1.969500      -1.558100      -1.682200    
 H    1.405500     -6.9799997E-02  -2.474500    
 H  -0.1682000      -1.701100     -0.4412000    
 H  -0.4526000      -1.687300      -2.207300    
 H    2.610400      -1.895700       2.014900    
 H    1.866800      -2.350300      0.4839000    
 H    2.443900       2.714000       1.321700    
 H    4.192200      -3.188900      0.6056000    
 H    4.798700      -1.545900      0.8787000    
 H    4.080100      -1.970100     -0.6769000    
 H   -2.379700      -2.124500     -0.9000000    
 H   -2.006700       2.064200      8.9100003E-02
 H   -4.386000      -2.272200      0.4854000    
 H   -4.057100       1.897200       1.470200    
 H   -5.246300     -0.2708000       1.671000    


%chk=000056973-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056973

0 1
O -0.852320 0.186854 -0.638410
O 1.817758 2.534455 -1.279955
N 2.076905 0.283527 -0.424671
N 2.899940 1.920384 0.787552
N 3.200318 0.735081 1.493586
C 1.329417 -0.394744 -1.485190
C 2.685539 -0.238933 0.726929
C -0.030205 -0.952725 -1.042142
C 2.836836 -1.694753 1.066397
C 2.210228 1.712624 -0.412268
C 3.880633 -2.430752 0.183775
C -2.162088 -0.071054 -0.192013
C -2.746033 -1.360459 -0.125163
C -2.899437 1.073593 0.198995
C -4.076506 -1.491211 0.339827
C -4.222451 0.925187 0.658481
C -4.820297 -0.357916 0.732841
H 1.931066 -1.217850 -1.913007
H 1.166420 0.365616 -2.270909
H 0.072599 -1.667080 -0.199617
H -0.495068 -1.484377 -1.899155
H 3.155820 -1.736640 2.122260
H 1.860748 -2.212793 1.004719
H 3.182677 2.819622 1.165759
H 3.978526 -3.482821 0.505756
H 4.869535 -1.948987 0.273316
H 3.598111 -2.430021 -0.884570
H -2.191782 -2.254296 -0.427763
H -2.419448 2.054698 0.131835
H -4.528498 -2.488352 0.391284
H -4.789197 1.813321 0.959236
H -5.849146 -0.468699 1.090683


