%chk=000094062.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094062

0 1
 O    2.669000     -0.8143000      0.6072000    
 O  -0.9217000       2.367400      0.7371000    
 O   -1.854900      -2.303500      0.6894000    
 O    3.082200       1.710700      0.6374000    
 C    1.338700     -0.5195000      0.6421000    
 C  -0.4688000       1.082200      0.7074000    
 C   0.8974000      0.8034000      0.6718000    
 C  -0.9525000      -1.284700      0.6836000    
 C   0.4138000      -1.563600      0.6480000    
 C   -1.393800      3.8199998E-02  0.7133000    
 C    3.138000      -1.558200     -0.5151000    
 C   -1.761300       2.783000     -0.3378000    
 C   -3.123300      -2.050700      8.6999997E-02
 C    4.589500      -1.187700     -0.7789000    
 C   -1.546800       4.268700     -0.5833000    
 C   -3.677200      -3.357500     -0.4599000    
 C    1.864600       1.895000      0.6667000    
 C    5.154400      -1.933200      -1.974700    
 C   -2.422900       4.787300      -1.709500    
 C   -5.024500      -3.162800      -1.131800    
 H   0.7478000      -2.598000      0.6337000    
 H   -2.450300      0.2818000      0.7798000    
 H    2.534900      -1.339100      -1.405900    
 H    3.055700      -2.627600     -0.2899000    
 H   -1.531100       2.222400      -1.253300    
 H   -2.804800       2.591300     -6.2799998E-02
 H   -3.038200      -1.344700     -0.7495000    
 H   -3.802800      -1.640800      0.8433000    
 H    4.669800     -0.1071000     -0.9461000    
 H    5.191600      -1.400400      0.1125000    
 H   -1.753900       4.827600      0.3371000    
 H  -0.4915000       4.453900     -0.8173000    
 H   -2.965100      -3.789500      -1.173400    
 H   -3.768400      -4.087200      0.3536000    
 H    1.470000       2.924000      0.6911000    
 H    6.198300      -1.649200      -2.140000    
 H    4.591200      -1.700500      -2.884200    
 H    5.117900      -3.015500      -1.815000    
 H   -2.203200       4.268900      -2.648200    
 H   -3.483500       4.645600      -1.478400    
 H   -2.248900       5.856800      -1.863600    
 H   -5.760900      -2.764800     -0.4263000    
 H   -4.946500      -2.469300      -1.975200    
 H   -5.400200      -4.117900      -1.511900    


%chk=000094062-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094062

0 1
O 2.991731 -0.445618 -0.427855
O -0.609683 2.727862 -0.334795
O -1.527108 -2.116764 -0.553723
O 3.374641 2.284876 -0.304949
C 1.622468 -0.228471 -0.434268
C -0.220495 1.383610 -0.387701
C 1.194753 1.145939 -0.380629
C -0.692901 -0.996633 -0.494942
C 0.688681 -1.286098 -0.489892
C -1.167895 0.335271 -0.444227
C 3.493081 -1.836134 -0.477242
C -2.047063 3.059851 -0.328015
C -2.989539 -1.909381 -0.569837
C 5.020496 -1.747205 -0.454050
C -2.151130 4.585239 -0.258492
C -3.636911 -3.294058 -0.641903
C 2.109186 2.306250 -0.317639
C 5.671340 -3.146687 -0.497013
C -3.623115 5.053151 -0.244093
C -5.178367 -3.199801 -0.667095
H 0.992563 -2.333356 -0.530679
H -2.236981 0.547863 -0.448732
H 3.133874 -2.328537 -1.405150
H 3.110317 -2.400614 0.398768
H -2.523038 2.671704 -1.252821
H -2.533138 2.588287 0.551646
H -3.266929 -1.294577 -1.451585
H -3.298286 -1.373789 0.352178
H 5.353183 -1.137906 -1.314023
H 5.329960 -1.203281 0.456898
H -1.627868 4.937724 0.649446
H -1.619099 5.019085 -1.125174
H -3.269510 -3.812789 -1.546627
H -3.303482 -3.889512 0.228127
H 1.570949 3.280196 -0.278809
H 6.772262 -3.063289 -0.481004
H 5.390197 -3.696878 -1.415019
H 5.369012 -3.761105 0.372210
H -4.159308 4.730256 -1.156358
H -4.167094 4.649585 0.630669
H -3.680448 6.154536 -0.194569
H -5.567274 -2.699080 0.239520
H -5.534633 -2.632451 -1.547496
H -5.629600 -4.206369 -0.712955


