Mridula Guin
mridula.guin@gmail.com
Thanks in advance..
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THERMOCHEMISTRY AT T= 298.15 K
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USING IDEAL GAS, RIGID ROTOR, HARMONIC NORMAL MODE APPROXIMATIONS.
P= 1.01325E+05 PASCAL.
ALL FREQUENCIES ARE SCALED BY 1.00000
THE MOMENTS OF INERTIA ARE (IN AMU*BOHR**2)
480.71546 2956.60067 3437.31425
THE ROTATIONAL SYMMETRY NUMBER IS 1.0
THE ROTATIONAL CONSTANTS ARE (IN GHZ)
3.75084 0.60985 0.52456
1 IMAGINARY FREQUENCY VIBRATION(S) IS(ARE) EXCLUDED
FROM THE FOLLOWING THERMOCHEMICAL ANALYSIS.
THE HARMONIC ZERO POINT ENERGY IS (SCALED BY 1.000)
0.127532 HARTREE/MOLECULE 27990.070745 CM**-1/MOLECULE
80.027708 KCAL/MOL 334.835932 KJ/MOL