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	hartrees
Energy at 0K	-6927.374005
Energy at 298.15K
HF Energy	-6927.236461
Nuclear repulsion energy	116.595872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	2918	13.48
2	A₁	1391	1296	31.35
3	A₁	536	499	3.79
4	E	3232	3011	3.38
4	E	3232	3011	3.38
5	E	1564	1457	9.72
5	E	1564	1457	9.72
6	E	945	880	8.63
6	E	945	880	8.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.869
I2	0.000	0.000	0.336
H3	0.000	1.036	-2.205
H4	0.897	-0.518	-2.205
H5	-0.897	-0.518	-2.205

	C1	I2	H3	H4	H5
C1		2.2056	1.0886	1.0886	1.0886
I2	2.2056		2.7439	2.7439	2.7439
H3	1.0886	2.7439		1.7937	1.7937
H4	1.0886	2.7439	1.7937		1.7937
H5	1.0886	2.7439	1.7937	1.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	107.944	I2	C1	H4	107.944
I2	C1	H5	107.944	H3	C1	H4	110.954
H3	C1	H5	110.954	H4	C1	H5	110.954

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)