%chk=000031319.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031319

0 1
 O   8.2000000E-03 -0.9171000       2.178800    
 O   0.4844000       1.646800      -1.857200    
 O    3.717000      -1.296800     -0.4853000    
 N    1.843500      -1.084400      0.8238000    
 N    2.077200      0.1681000      -1.143600    
 C   1.8800000E-02  0.4381000      0.1808000    
 C  -0.3303000       1.719900      0.9492000    
 C   -1.220000     -0.2101000     -0.3710000    
 C   0.6039000     -0.5678000       1.157500    
 C   0.8622000      0.8196000      -1.024800    
 C   0.9041000       2.336200       1.572200    
 C   -2.424300      0.3696000     -0.2068000    
 C  -0.9769000      -1.513700      -1.077200    
 C    2.619500     -0.7742000     -0.2827000    
 C   -3.753700     -0.1120000     -0.7121000    
 C   -4.433600      -1.022300      0.2984000    
 H   -1.027200       1.526800       1.776000    
 H  -0.7731000       2.484900      0.2974000    
 H    1.370500       1.678400       2.311800    
 H    1.656900       2.600700      0.8233000    
 H   0.6312000       3.260200       2.094100    
 H   -2.551000       1.305000      0.3262000    
 H  -0.3129000      -1.386400      -1.937500    
 H  -0.5451000      -2.265000     -0.4093000    
 H   -1.900900      -1.953200      -1.463900    
 H    2.233200      -1.767400       1.467600    
 H    2.639400      0.4110000      -1.954600    
 H   -3.647200     -0.6315000      -1.670200    
 H   -4.392700      0.7565000     -0.9123000    
 H   -5.411100      -1.340300     -7.8199998E-02
 H   -3.837400      -1.920800      0.4899000    
 H   -4.590600     -0.5076000       1.252500    


%chk=000031319-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031319

0 1
O 0.153364 -0.988099 2.213221
O 0.579692 1.796369 -1.770774
O 3.847401 -1.279290 -0.582803
N 1.950835 -1.117245 0.774072
N 2.155712 0.228491 -1.156881
C 0.025157 0.419047 0.194503
C -0.322066 1.685561 1.043708
C -1.217248 -0.291995 -0.434542
C 0.692768 -0.602743 1.146030
C 0.919717 0.881738 -0.979458
C 0.911932 2.380033 1.658843
C -2.477383 0.172789 -0.217922
C -0.880378 -1.508546 -1.281647
C 2.728886 -0.761636 -0.340887
C -3.783009 -0.396911 -0.731885
C -4.760645 -0.727896 0.426907
H -1.005881 1.366670 1.849565
H -0.854495 2.392542 0.383874
H 1.458606 1.711809 2.349310
H 1.614154 2.735751 0.882705
H 0.592398 3.262454 2.240583
H -2.608152 1.062753 0.411472
H -0.265513 -1.233758 -2.161072
H -0.309234 -2.262284 -0.705163
H -1.785018 -2.006388 -1.661966
H 2.367462 -1.816164 1.398573
H 2.723938 0.524072 -1.958032
H -3.623488 -1.298827 -1.348508
H -4.260255 0.354393 -1.395022
H -5.722829 -1.103481 0.033682
H -4.333866 -1.497484 1.094328
H -4.970560 0.169475 1.037987


