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	hartrees
Energy at 0K	-6956.797432
Energy at 298.15K
HF Energy	-6956.433409
Nuclear repulsion energy	118.816049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3102	2962	13.66
2	A₁	1350	1289	27.46
3	A₁	548	523	1.97
4	E	3213	3069	1.71
4	E	3213	3069	1.71
5	E	1502	1435	7.72
5	E	1502	1435	7.72
6	E	932	890	8.87
6	E	932	890	8.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.827
I2	0.000	0.000	0.329
H3	0.000	1.034	-2.166
H4	0.896	-0.517	-2.166
H5	-0.896	-0.517	-2.166

	C1	I2	H3	H4	H5
C1		2.1565	1.0883	1.0883	1.0883
I2	2.1565		2.7015	2.7016	2.7016
H3	1.0883	2.7015		1.7911	1.7911
H4	1.0883	2.7016	1.7911		1.7911
H5	1.0883	2.7016	1.7911	1.7911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	108.165	I2	C1	H4	108.165
I2	C1	H5	108.165	H3	C1	H4	110.745
H3	C1	H5	110.745	H4	C1	H5	110.745

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

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

States and conformations

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