%chk=000043203.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043203

0 1
 I   -1.052500      -4.075900       1.205600    
 O   3.4899998E-02   2.737000     -0.1909000    
 O    1.975500       1.877800     -0.8204000    
 O    1.515000       2.038800       1.432400    
 C   -2.567500       1.485300     -0.1069000    
 C   -3.523200      0.3219000      0.1725000    
 C   -1.803900       1.954900       1.130200    
 C   -4.269100     -0.1641000      -1.070700    
 C  -0.8923000       3.132500      0.8105000    
 C   -5.256600      -1.269300     -0.7277000    
 C    3.340700     -9.3000002E-02  -1.139600    
 C    2.300900      -1.036100     -0.5849000    
 C    3.249900       1.298200     -0.5222000    
 C    1.208900       2.200500      0.2587000    
 C    2.588900      -1.807300      0.5412000    
 C    1.051900      -1.136300      -1.197900    
 C    1.628100      -2.678600       1.054200    
 C   9.1100000E-02  -2.007600     -0.6850000    
 C   0.3792000      -2.778900      0.4410000    
 H   -1.859600       1.172600     -0.8842000    
 H   -3.140300       2.324800     -0.5203000    
 H   -4.249900      0.6349000      0.9325000    
 H   -2.956700     -0.5137000      0.6024000    
 H   -1.211000       1.118400       1.518900    
 H   -2.511600       2.248900       1.913700    
 H   -3.551700     -0.5340000      -1.812300    
 H   -4.810000      0.6714000      -1.529600    
 H   -1.475800       3.968800      0.4103000    
 H  -0.3892000       3.499600       1.712600    
 H   -4.742900      -2.131700     -0.2909000    
 H   -6.007200     -0.9174000     -1.3000000E-02
 H   -5.777500      -1.605000      -1.629900    
 H    3.207000     -2.3499999E-02  -2.226800    
 H    4.343100     -0.5081000     -0.9792000    
 H    3.467000       1.254700      0.5512000    
 H    4.010100       1.943400     -0.9761000    
 H    3.557700      -1.735900       1.028400    
 H   0.8138000     -0.5404000      -2.075000    
 H    1.873000      -3.269600       1.933000    
 H  -0.8767000      -2.068300      -1.176600    


%chk=000043203-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043203

0 1
I -1.352452 -4.259633 0.614651
O 0.140689 2.927592 -0.360018
O 2.103392 1.936514 -0.679411
O 1.395104 2.320452 1.534535
C -2.597991 1.556015 -0.195282
C -3.458883 0.362566 0.274524
C -1.873369 2.263192 0.971183
C -4.212513 -0.338531 -0.878986
C -0.962403 3.416001 0.532340
C -5.077648 -1.524066 -0.399538
C 3.421218 -0.115103 -0.960695
C 2.312228 -1.094378 -0.605955
C 3.321811 1.223321 -0.202473
C 1.225709 2.384868 0.295502
C 2.539843 -2.154475 0.306883
C 1.016166 -0.955367 -1.166429
C 1.508296 -3.054881 0.660786
C -0.028501 -1.843768 -0.824261
C 0.229169 -2.889152 0.088860
H -1.848188 1.206418 -0.932603
H -3.241978 2.287609 -0.727338
H -4.195070 0.710826 1.029537
H -2.812030 -0.377391 0.790509
H -1.277297 1.535275 1.554304
H -2.623797 2.685565 1.671629
H -3.478398 -0.695381 -1.631369
H -4.852349 0.402493 -1.400873
H -1.492655 4.141137 -0.106692
H -0.508156 3.924231 1.401229
H -4.454005 -2.293193 0.093775
H -5.837907 -1.188172 0.331055
H -5.607313 -2.006172 -1.241793
H 3.414317 0.103299 -2.044755
H 4.410714 -0.551295 -0.723519
H 3.252453 1.084746 0.890453
H 4.177352 1.877478 -0.445576
H 3.533712 -2.288523 0.751150
H 0.817968 -0.142497 -1.873473
H 1.705385 -3.868155 1.365178
H -1.021124 -1.719766 -1.267844


