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	hartrees
Energy at 0K	-6956.764206
Energy at 298.15K
HF Energy	-6956.433603
Nuclear repulsion energy	119.218616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3164	2940	14.92
2	A₁	1374	1277	32.46
3	A₁	559	519	3.20
4	E	3277	3044	1.48
4	E	3277	3044	1.48
5	E	1531	1423	7.91
5	E	1531	1423	7.91
6	E	950	883	8.83
6	E	950	883	8.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.822
I2	0.000	0.000	0.328
H3	0.000	1.029	-2.158
H4	0.892	-0.515	-2.158
H5	-0.892	-0.515	-2.158

	C1	I2	H3	H4	H5
C1		2.1500	1.0831	1.0831	1.0831
I2	2.1500		2.6913	2.6913	2.6913
H3	1.0831	2.6913		1.7831	1.7831
H4	1.0831	2.6913	1.7831		1.7831
H5	1.0831	2.6913	1.7831	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	108.109	I2	C1	H4	108.109
I2	C1	H5	108.109	H3	C1	H4	110.799
H3	C1	H5	110.799	H4	C1	H5	110.798

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

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

States and conformations

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