%chk=000085699.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085699

0 1
 O   -3.407700      0.2156000      0.2832000    
 O   -1.310600       2.077200     -0.5857000    
 C   -2.126800     -0.1478000     -0.2291000    
 C   -1.111900      0.9111000      0.2163000    
 C   -1.747300      -1.524000      0.3031000    
 C  -0.3935000      -1.951200     -0.2501000    
 C   0.3291000      0.4635000      0.1074000    
 C   0.6652000     -0.8907000     -8.3300002E-02
 C    1.361300       1.405500      0.2581000    
 C    2.015800      -1.264400     -0.1690000    
 C    2.699600       1.019600      0.1838000    
 C    3.026700     -0.3144000     -3.4600001E-02
 H   -2.207800     -0.1668000      -1.323300    
 H   -1.302200       1.198700       1.258400    
 H   -2.512700      -2.262400      3.6100000E-02
 H   -1.723500      -1.502200       1.401000    
 H  -0.4881000      -2.176400      -1.319600    
 H  -8.2800001E-02  -2.872600      0.2568000    
 H    1.127500       2.452600      0.4362000    
 H    2.286300      -2.304100     -0.3380000    
 H   -4.043100     -0.4589000     -1.2100000E-02
 H   -2.235200       2.356000     -0.4699000    
 H    3.485200       1.760900      0.2967000    
 H    4.068000     -0.6163000     -9.7199999E-02


%chk=000085699-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085699

0 1
O -3.428378 0.341106 0.128702
O -1.318048 2.185763 -0.298178
C -2.094871 -0.163818 -0.267051
C -1.117460 0.865208 0.314226
C -1.785444 -1.558463 0.299112
C -0.385066 -2.012786 -0.176503
C 0.334250 0.443579 0.131676
C 0.681308 -0.925658 -0.039645
C 1.349929 1.429151 0.175857
C 2.051684 -1.275485 -0.135098
C 2.709405 1.068010 0.070401
C 3.063298 -0.293836 -0.077660
H -2.007222 -0.167098 -1.375420
H -1.350142 0.931930 1.402880
H -2.550388 -2.290372 -0.026794
H -1.824088 -1.508801 1.404556
H -0.444678 -2.313337 -1.243656
H -0.075348 -2.917867 0.379101
H 1.053735 2.477669 0.276123
H 2.325347 -2.330862 -0.262087
H -4.131758 -0.211573 -0.293846
H -2.287784 2.382905 -0.214648
H 3.486420 1.839760 0.104482
H 4.116798 -0.586627 -0.151330


