%nproc=4
%Mem=4000MB
%Chk=BDh_cat_ClO
#p SCRF(SMD,Solvent=DiPhenylEther) B97D/genecp  nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full 

opt freq

0 2
 O                  5.05219400    3.69587600   -0.11772900
 Ru                 3.35801300    4.08768700    0.04761400
 C                  0.98589400    4.75016500    0.30155500
 C                  1.82830800    5.42607100    1.21802600
 C                  1.35354100    4.65966000   -1.06197100
 H                  0.17395900    4.13168100    0.67830700
 C                  2.98040700    6.15073900    0.74071000
 H                  1.64070100    5.36445700    2.28775000
 C                  2.51142200    5.36763200   -1.54644500
 H                  0.81011700    4.00161700   -1.73660400
 C                  3.25966700    6.20867400   -0.66120700
 H                  3.62954000    6.66178600    1.44980300
 H                  2.80193400    5.27819100   -2.59186600
 H                  4.14318200    6.73296100   -1.02207300
 Cl                 2.77136300    1.84536200    0.85117600

Ru     0 
S   1   1.00
      2.5650000              1.0000000        
S   1   1.00
      1.5080000              1.0000000        
S   1   1.00
      0.5129000              1.0000000        
S   1   1.00
      0.1362000              1.0000000        
S   1   1.00
      0.0417000              1.0000000        
P   1   1.00
      4.8590000              1.0000000        
P   1   1.00
      1.2190000              1.0000000        
P   1   1.00
      0.4413000              1.0000000        
P   1   1.00
      0.0830000              1.0000000        
P   1   1.00
      0.0250000              1.0000000        
D   2   1.00
      4.1950000              0.0485729        
      1.3770000              0.5105223        
D   1   1.00
      0.4828000              1.0000000        
D   1   1.00
      0.1501000              1.0000000        
F   1   1.00
      1.2350000              1.0000000        
****
O C H Cl 0
6-311++G**
****

RU     0
RU-ECP     3     28
f-ul potential
  5
0    554.3796303             -0.0515270        
1    155.1066871            -20.1816536        
2     48.4976263           -105.9966915        
2     14.7701594            -42.2166788        
2      5.2077363             -3.7675024        
s-ul potential
  5
0     66.7118060              2.9578344        
1     77.3503632             25.3748707        
2     18.3571445            536.1262372        
2     11.8404727           -651.2057221        
2      8.1179479            381.3816943        
p-ul potential
  5
0     54.9937915              4.9651557        
1     13.9399212             23.8861501        
2     15.2118246            464.4631344        
2     10.5460691           -714.4451788        
2      7.5539486            377.5503594        
d-ul potential
  4
0     60.3444595              3.0352988        
1     45.2100305             23.2901723        
2     19.1190074            146.0926620        
2      4.2712090             28.9129770        

