%chk=000085452.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085452

0 1
 O   0.7401000      0.7260000     -0.1376000    
 O    1.548300      -1.319400      0.5597000    
 C   -3.420000     -7.3399998E-02 -0.3588000    
 C   -2.952800       1.187900      0.3812000    
 C   -2.468600      -1.248500     -9.4099998E-02
 C  -0.5659000      0.3659000      0.2993000    
 C   -1.508000       1.538100      3.7599999E-02
 C   -1.025100     -0.8915000     -0.4359000    
 C   -4.848800     -0.4355000      4.2100001E-02
 C    1.713800     -0.2180000      5.3800002E-02
 C    3.031400      0.3171000     -0.4590000    
 C    4.217500     -0.2339000      0.3283000    
 C    5.538000      0.2852000     -0.2167000    
 H   -3.415500      0.1378000      -1.436600    
 H  -0.5345000      0.1776000       1.380900    
 H   -3.039900       1.039100       1.465100    
 H   -3.601000       2.034000      0.1239000    
 H   -2.777400      -2.117100     -0.6881000    
 H   -2.527200      -1.547500      0.9604000    
 H   -1.438100       1.842200      -1.015000    
 H   -1.184400       2.410000      0.6191000    
 H  -0.4276000      -1.778000     -0.2193000    
 H  -0.9308000     -0.7351000      -1.518900    
 H   -5.195700      -1.315200     -0.5101000    
 H   -4.918300     -0.6582000       1.112300    
 H   -5.534400      0.3896000     -0.1774000    
 H    3.109600      5.2700002E-02  -1.519200    
 H    3.028300       1.410500     -0.3769000    
 H    4.122600      4.1700002E-02   1.385400    
 H    4.219300      -1.329600      0.2872000    
 H    6.373200     -0.1224000      0.3613000    
 H    5.673200     -8.3999997E-03  -1.262600    
 H    5.584800       1.377300     -0.1571000    


%chk=000085452-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085452

0 1
O 0.758032 0.543466 -0.287343
O 1.707491 -1.124380 1.044805
C -3.541474 -0.018518 -0.353728
C -2.934995 1.126161 0.499612
C -2.641800 -1.278707 -0.267446
C -0.615870 0.167490 0.196694
C -1.470369 1.437277 0.102749
C -1.176233 -0.975772 -0.667268
C -4.992322 -0.330564 0.070054
C 1.833760 -0.201853 0.204683
C 3.137218 0.256630 -0.430573
C 4.367722 0.008215 0.469673
C 5.688827 0.330314 -0.259088
H -3.549002 0.319076 -1.413523
H -0.517350 -0.172504 1.246332
H -2.976774 0.834063 1.570374
H -3.549986 2.041051 0.396431
H -3.045690 -2.078588 -0.917881
H -2.670064 -1.670123 0.771402
H -1.434106 1.816672 -0.937406
H -1.046392 2.223998 0.754041
H -0.547422 -1.876858 -0.548819
H -1.133261 -0.669177 -1.731343
H -5.433197 -1.125929 -0.559718
H -5.027644 -0.675823 1.121640
H -5.637883 0.563913 -0.012682
H 3.256141 -0.306173 -1.380011
H 3.045167 1.320719 -0.711998
H 4.281881 0.624964 1.385030
H 4.358853 -1.045213 0.804305
H 6.558677 0.157862 0.400271
H 5.813675 -0.306503 -1.155401
H 5.720489 1.385813 -0.589567


