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	hartrees
Energy at 0K	-6927.515774
Energy at 298.15K
HF Energy	-6927.303431
Nuclear repulsion energy	117.151684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3143	2925	10.22
2	A₁	1388	1292	29.95
3	A₁	553	515	4.83
4	E	3246	3020	0.86
4	E	3246	3020	0.86
5	E	1571	1462	7.34
5	E	1571	1462	7.34
6	E	950	884	8.30
6	E	950	884	8.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.861
I2	0.000	0.000	0.334
H3	0.000	1.037	-2.188
H4	0.898	-0.519	-2.188
H5	-0.898	-0.519	-2.188

	C1	I2	H3	H4	H5
C1		2.1951	1.0876	1.0876	1.0876
I2	2.1951		2.7274	2.7274	2.7274
H3	1.0876	2.7274		1.7964	1.7964
H4	1.0876	2.7274	1.7964		1.7964
H5	1.0876	2.7274	1.7964	1.7964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	107.519	I2	C1	H4	107.519
I2	C1	H5	107.519	H3	C1	H4	111.350
H3	C1	H5	111.350	H4	C1	H5	111.350

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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