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	hartrees
Energy at 0K	-337.081510
Energy at 298.15K
HF Energy	-336.289929
Nuclear repulsion energy	61.899029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3093	3093
2	A₁	1285	1285
3	A₁	554	554
4	E	3205	3205
4	E	3205	3205
5	E	1479	1479
5	E	1479	1479
6	E	895	895
6	E	895	895

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.803
I2	0.000	0.000	0.325
H3	0.000	1.031	-2.131
H4	0.893	-0.516	-2.131
H5	-0.893	-0.516	-2.131

	C1	I2	H3	H4	H5
C1		2.1277	1.0821	1.0821	1.0821
I2	2.1277		2.6637	2.6637	2.6637
H3	1.0821	2.6637		1.7858	1.7858
H4	1.0821	2.6637	1.7858		1.7858
H5	1.0821	2.6637	1.7858	1.7858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	107.669	I2	C1	H4	107.669
I2	C1	H5	107.669	H3	C1	H4	111.212
H3	C1	H5	111.212	H4	C1	H5	111.212

All results from a given calculation for CH₃I (methyl iodide)

using model chemistry: QCISD(T)=FULL/Def2TZVPP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3I (methyl iodide)

using model chemistry: QCISD(T)=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₃I (methyl iodide)