%chk=000080499.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080499

0 1
 O   0.2263000     -0.3397000       1.147500    
 O   -1.217100      -1.841900     -0.6923000    
 N    1.316800      0.6626000     -0.6393000    
 C  -0.9250000      0.1477000      0.6067000    
 C   -1.649600     -0.6061000     -0.3165000    
 C   -1.378300       1.411800      0.9841000    
 C   -2.827300     -9.5799997E-02 -0.8626000    
 C   -2.556100       1.922100      0.4381000    
 C   -3.280500       1.168300     -0.4852000    
 C    1.412100     -6.6799998E-02  0.4874000    
 C    2.587600     -0.5523000       1.020200    
 C    3.765400     -0.2651000      0.3392000    
 C    3.720300      0.4852000     -0.8305000    
 C    2.482200      0.9215000      -1.273800    
 C   -1.676900      -2.951300      7.7100001E-02
 H  -0.8202000       2.004600       1.703900    
 H   -3.396400     -0.6771000      -1.582900    
 H   -2.909100       2.906200      0.7321000    
 H   -4.197400       1.565600     -0.9105000    
 H    2.602800      -1.136000       1.933500    
 H    4.716500     -0.6255000      0.7192000    
 H    4.625600      0.7210000      -1.377900    
 H    2.392700       1.510100      -2.180900    
 H   -2.767500      -3.028900      2.4200000E-02
 H   -1.356600      -2.856800       1.119500    
 H   -1.240600      -3.862500     -0.3413000    


%chk=000080499-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080499

0 1
O 0.113527 -0.194655 1.199055
O -1.241328 -1.667162 -0.902663
N 1.321129 0.624910 -0.678790
C -1.091497 0.297643 0.605243
C -1.763439 -0.465421 -0.385497
C -1.629122 1.508810 1.073764
C -2.967710 0.032752 -0.930814
C -2.842056 1.993273 0.533773
C -3.503000 1.259381 -0.478592
C 1.315240 -0.067947 0.477342
C 2.458224 -0.675014 1.055776
C 3.676887 -0.546701 0.361733
C 3.712263 0.169764 -0.862551
C 2.511426 0.735948 -1.339296
C -1.094454 -2.774881 0.067535
H -1.083645 2.065727 1.842148
H -3.463820 -0.557660 -1.707705
H -3.259001 2.939453 0.893986
H -4.436987 1.635225 -0.910194
H 2.375511 -1.212872 2.003538
H 4.587685 -0.998442 0.768553
H 4.641336 0.286504 -1.427599
H 2.482772 1.301162 -2.277341
H -2.087787 -3.084852 0.445650
H -0.446197 -2.486395 0.913742
H -0.636259 -3.597648 -0.501795


