Calculate k(T) for the rxn: enol to keto Electronic calculation @ BHandHLYP/cc-pvdz

<TITLE>
Calculate k(T) for the rxn: enol to keto
Electronic calculation @ BHandHLYP/cc-pvdz
</TITLE>

<PRINT>
normal
</PRINT>

<RATE>
RRKM=(Thermo)
Temperature=(300-3000, 100)
</RATE>

<REACTANT>
NAME ENOL
ENERGY_LEVEL = (-153.7294221,1)
COORDINATES
C  0.000000    0.436392    0.000000
H -0.144359    1.512197    0.000000
C  1.205986   -0.114555    0.000000
H  1.346148   -1.191912    0.000000
H  2.087090    0.513351    0.000000
O -1.186287   -0.202096    0.000000
H -1.034496   -1.147888    0.000000
FREQUENCY
 484.6823     504.1104     744.7223     868.5522    
 997.1533    1046.8058    1180.8428    1366.7780    
1402.1809    1482.6629    1794.2222    3239.4451    
3292.5058    3350.6027    3939.0469    

</REACTANT>

<TS>
NAME ENOL-KETO TS
ENERGY_LEVEL = (-153.628889,1)
COORDINATES
C -1.098775   -0.180375   -0.053310
H -2.007969    0.283910   -0.427429
H -1.259267   -0.789184    0.839921
H  0.112539   -1.015817   -0.323164
C  0.117198    0.529255    0.045701
H  0.313454    1.602118    0.128736
O  1.091337   -0.271788   -0.021551
FREQUENCY
-2322.1613      561.1580      665.8808      825.6882    
 1011.9137     1107.5717     1191.3114     1234.6133    
 1348.0433     1501.5713     1644.3491     2002.2204    
 3179.3048     3214.2293     3277.1882    

</TS>