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	hartrees
Energy at 0K	-6956.786687
Energy at 298.15K
HF Energy	-6956.438576
Nuclear repulsion energy	119.366891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3166	3166	14.78
2	A₁	1360	1360	40.29
3	A₁	559	559	3.04
4	E	3278	3278	1.74
4	E	3278	3278	1.74
5	E	1518	1518	5.72
5	E	1518	1518	5.72
6	E	939	939	6.93
6	E	939	939	6.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.819
I2	0.000	0.000	0.328
H3	0.000	1.030	-2.155
H4	0.892	-0.515	-2.155
H5	-0.892	-0.515	-2.155

	C1	I2	H3	H4	H5
C1		2.1468	1.0836	1.0836	1.0836
I2	2.1468		2.6879	2.6879	2.6879
H3	1.0836	2.6879		1.7845	1.7845
H4	1.0836	2.6879	1.7845		1.7845
H5	1.0836	2.6879	1.7845	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	108.052	I2	C1	H4	108.052
I2	C1	H5	108.052	H3	C1	H4	110.852
H3	C1	H5	110.852	H4	C1	H5	110.852

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

using model chemistry: CISD/6-311G**

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: CISD/6-311G**

States and conformations

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