%chk=000043199.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043199

0 1
 I    6.605700      -1.399900      0.9315000    
 O   -2.148700      7.8100003E-02  0.1199000    
 O  -2.7000001E-03  0.4129000     -0.2689000    
 O   -1.539900       1.765200      -1.327800    
 C   -4.674400      -1.530600      0.3708000    
 C   -4.237400     -0.3149000       1.207800    
 C   -3.371700      0.7224000      0.4825000    
 C   -5.444300      -1.126200     -0.8866000    
 C   -3.446300      -2.358200     -1.8400000E-02
 C   -3.041900       1.938700       1.337100    
 C   -1.258700      0.8462000     -0.5704000    
 C    1.064900       1.116600     -0.9125000    
 C    2.373400      0.5235000     -0.4794000    
 C    3.017900       1.027300      0.6447000    
 C    2.928700     -0.5247000      -1.204800    
 C    4.233700      0.4758000       1.048800    
 C    4.144500      -1.076300     -0.8006000    
 C    4.797000     -0.5761000      0.3264000    
 H   -5.326500      -2.150700      0.9984000    
 H   -3.698000     -0.6793000       2.092400    
 H   -5.141400      0.1845000       1.580100    
 H   -3.887300       1.061100     -0.4232000    
 H   -4.812500     -0.6051000      -1.612800    
 H   -6.287100     -0.4746000     -0.6336000    
 H   -5.848200      -2.014400      -1.384900    
 H   -2.764600      -2.499600      0.8266000    
 H   -3.769900      -3.356000     -0.3387000    
 H   -2.895400      -1.935400     -0.8635000    
 H   -2.392800       1.662900       2.175900    
 H   -2.521300       2.719400      0.7749000    
 H   -3.955900       2.386100       1.741300    
 H    1.022600       2.179600     -0.6435000    
 H   0.9556000       1.039600      -2.001500    
 H    2.586800       1.844700       1.216100    
 H    2.427500     -0.9234000      -2.082500    
 H    4.724700      0.8799000       1.930500    
 H    4.565300      -1.896100      -1.377400    


%chk=000043199-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043199

0 1
I 6.637097 -1.866295 0.405615
O -2.126068 0.479562 0.704348
O 0.005639 0.615682 0.064097
O -1.560511 2.021514 -0.983900
C -4.458341 -1.562418 0.257425
C -4.409155 -0.280295 1.141399
C -3.578432 0.908376 0.635373
C -4.823731 -1.251332 -1.214906
C -3.170738 -2.418533 0.343408
C -3.744499 2.173181 1.488894
C -1.266942 1.131570 -0.148824
C 1.065716 1.232017 -0.812249
C 2.357231 0.510348 -0.526428
C 3.254419 0.997606 0.455119
C 2.696270 -0.668971 -1.234219
C 4.467704 0.328086 0.730493
C 3.903925 -1.353647 -0.973255
C 4.781768 -0.844354 0.008974
H -5.283993 -2.176390 0.677609
H -4.055183 -0.546105 2.157188
H -5.444399 0.102644 1.256626
H -3.795024 1.138566 -0.423659
H -4.000899 -0.725149 -1.734579
H -5.731677 -0.622273 -1.287816
H -5.016036 -2.187151 -1.771377
H -2.932733 -2.675209 1.392243
H -3.297737 -3.362832 -0.219386
H -2.299242 -1.881617 -0.067524
H -3.478928 1.971063 2.541654
H -3.108186 2.989496 1.107040
H -4.794749 2.516050 1.454513
H 1.121655 2.308136 -0.570942
H 0.742733 1.125437 -1.862707
H 3.007047 1.906027 1.016607
H 2.012641 -1.063980 -1.994603
H 5.151429 0.716712 1.490145
H 4.153328 -2.262524 -1.527698


