%chk=000080353.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080353

0 1
 O    2.729400      0.6135000     -8.5500002E-02
 O    3.862300      -1.359400     -0.4869000    
 C    1.566500      0.1850000     -0.7952000    
 C   0.8818000     -0.9326000      1.2100000E-02
 C   0.6980000       1.423800      -1.083700    
 C  -0.4157000      -1.449200     -0.6143000    
 C   0.1742000       2.147700      0.1675000    
 C   -1.283700      -2.196000      0.4018000    
 C   -1.193400       2.819500     -3.0200001E-02
 C   -2.731100      -2.393900     -5.6299999E-02
 C   -2.377900       1.863100     -0.2533000    
 C   -3.541200      -1.139000     -0.4274000    
 C   -2.630100      0.9124000      0.9232000    
 C   -3.756200     -0.1038000      0.6870000    
 C    3.645800     -0.3606000      0.1860000    
 C    4.371100     -3.0500000E-02   1.455300    
 H    1.885800     -0.2177000      -1.765800    
 H   0.7002000     -0.5787000       1.033800    
 H    1.543800      -1.796100      0.1401000    
 H  -0.1154000       1.150200      -1.760200    
 H    1.308000       2.146600      -1.642700    
 H  -0.1826000      -2.107400      -1.459800    
 H  -0.9825000     -0.6177000      -1.024800    
 H   0.9004000       2.926000      0.4366000    
 H   0.1302000       1.487500       1.035800    
 H   -1.285500      -1.684800       1.369700    
 H  -0.8360000      -3.180100      0.5899000    
 H   -1.132600       3.507500     -0.8824000    
 H   -1.405400       3.436700      0.8518000    
 H   -3.268200      -2.933200      0.7343000    
 H   -2.728300      -3.060900     -0.9281000    
 H   -2.225200       1.307400      -1.181100    
 H   -3.279700       2.468000     -0.4112000    
 H   -4.537500      -1.498900     -0.7198000    
 H   -3.137200     -0.6729000      -1.330100    
 H   -2.899900       1.517600       1.798300    
 H   -1.716700      0.3881000       1.197900    
 H   -4.667400      0.4611000      0.4509000    
 H   -3.960600     -0.6295000       1.627800    
 H    3.661000      2.0900000E-02   2.284500    
 H    4.902000      0.9181000       1.343100    
 H    5.101400     -0.8158000       1.670500    


%chk=000080353-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080353

0 1
O 2.733610 0.478763 0.282639
O 4.006505 -1.283290 -0.574636
C 1.552726 0.052568 -0.560022
C 0.785279 -1.039420 0.218388
C 0.772975 1.344321 -0.874790
C -0.504681 -1.515146 -0.495112
C 0.150627 2.083130 0.342693
C -1.489241 -2.245635 0.449478
C -1.186053 2.808480 0.023492
C -2.916611 -2.416967 -0.134718
C -2.383161 1.874428 -0.308290
C -3.662794 -1.126494 -0.583284
C -2.793994 0.934444 0.851104
C -3.943973 -0.054849 0.509948
C 3.892117 -0.295152 0.188664
C 4.952451 0.219274 1.140302
H 1.963742 -0.379568 -1.493660
H 0.524876 -0.644231 1.219378
H 1.467586 -1.894447 0.382240
H -0.019462 1.074737 -1.599092
H 1.454768 2.026793 -1.417231
H -0.248224 -2.170486 -1.351907
H -1.023660 -0.639645 -0.921334
H 0.880301 2.819996 0.727381
H -0.016592 1.374348 1.173825
H -1.551829 -1.689287 1.405892
H -1.086519 -3.246118 0.708200
H -1.027552 3.503076 -0.827474
H -1.460702 3.440543 0.893288
H -3.541328 -2.937926 0.620350
H -2.862839 -3.096450 -1.011267
H -2.143746 1.276115 -1.210118
H -3.255391 2.500289 -0.589208
H -4.639570 -1.454233 -0.994078
H -3.132727 -0.660055 -1.437025
H -3.116786 1.560594 1.709324
H -1.911110 0.371348 1.201474
H -4.819595 0.546620 0.186912
H -4.257190 -0.574134 1.439884
H 4.755040 -0.171147 2.155588
H 4.931055 1.319231 1.194738
H 5.943573 -0.132420 0.817165


