Accuracy
36 HI - methanol
155 36 HI - methanol
(Previous)
(Back)
(Next)
Geometry from the BEGDB - the Benchmark Energy and Geometry Database
ΔHf: -4.1 kcal/mol, REF: P. Jurecka, J. Sponer, J. Cerny, P. Hobza, Phys. Chem. Chem. Phys. Lett. 8, 1985 (2006)
0SCF HTML
36 HI - methanol
H=-4.114+"36 HI - methanol separated.mop" HR=CCSDT HWT=5
I 0.49436076 +0 0.00013673 +0 -0.29918615 +0
H -0.02681845 +1 0.00000982 +0 1.22777972 +0
O -0.30402627 +0 -0.00020991 +1 3.24054165 +0
H -1.06167171 +0 0.00003413 +0 3.83019664 +0
C 0.87760517 +0 -0.00002964 +0 4.03349751 +0
H 1.71561556 +0 -0.00013105 +0 3.34328351 +0
H 0.94684111 +0 0.88889343 +0 4.66026337 +0
H 0.94688809 +0 -0.88872339 +0 4.66058358 +0