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	hartrees
Energy at 0K	-6927.512323
Energy at 298.15K
HF Energy	-6927.303343
Nuclear repulsion energy	117.000926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3132	2980	7.36
2	A₁	1376	1309	31.48
3	A₁	548	521	5.31
4	E	3242	3084	0.39
4	E	3242	3084	0.39
5	E	1568	1492	6.97
5	E	1568	1492	6.97
6	E	945	899	8.42
6	E	945	899	8.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.864
I2	0.000	0.000	0.335
H3	0.000	1.039	-2.188
H4	0.900	-0.520	-2.188
H5	-0.900	-0.520	-2.188

	C1	I2	H3	H4	H5
C1		2.1988	1.0886	1.0886	1.0886
I2	2.1988		2.7286	2.7286	2.7286
H3	1.0886	2.7286		1.7999	1.7999
H4	1.0886	2.7286	1.7999		1.7999
H5	1.0886	2.7286	1.7999	1.7999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	107.328	I2	C1	H4	107.328
I2	C1	H5	107.328	H3	C1	H4	111.527
H3	C1	H5	111.527	H4	C1	H5	111.527

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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