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	hartrees
Energy at 0K	-18.529050
Energy at 298.15K
HF Energy	-18.421231
Nuclear repulsion energy	17.410821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3078	2975	44.49
2	A₁	1367	1320	35.29
3	A₁	517	500	3.65
4	E	3217	3109	19.78
4	E	3217	3109	19.78
5	E	1471	1422	6.65
5	E	1471	1422	6.65
6	E	929	898	14.67
6	E	929	898	14.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.862
I2	0.000	0.000	0.336
H3	0.000	1.049	-2.205
H4	0.909	-0.525	-2.205
H5	-0.909	-0.525	-2.205

	C1	I2	H3	H4	H5
C1		2.1971	1.1042	1.1042	1.1042
I2	2.1971		2.7490	2.7490	2.7490
H3	1.1042	2.7490		1.8174	1.8174
H4	1.1042	2.7490	1.8174		1.8174
H5	1.1042	2.7490	1.8174	1.8174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	108.138	I2	C1	H4	108.138
I2	C1	H5	108.138	H3	C1	H4	110.771
H3	C1	H5	110.771	H4	C1	H5	110.771

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

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

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