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	hartrees
Energy at 0K	-6927.382124
Energy at 298.15K
HF Energy	-6927.236250
Nuclear repulsion energy	116.279813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3098	3012	13.53
2	A₁	1374	1336	28.15
3	A₁	526	512	2.75
4	E	3198	3109	3.87
4	E	3198	3109	3.87
5	E	1550	1507	9.11
5	E	1550	1507	9.11
6	E	932	906	8.44
6	E	932	906	8.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.874
I2	0.000	0.000	0.337
H3	0.000	1.038	-2.210
H4	0.899	-0.519	-2.210
H5	-0.899	-0.519	-2.210

	C1	I2	H3	H4	H5
C1		2.2117	1.0913	1.0913	1.0913
I2	2.2117		2.7511	2.7511	2.7511
H3	1.0913	2.7511		1.7984	1.7984
H4	1.0913	2.7511	1.7984		1.7984
H5	1.0913	2.7511	1.7984	1.7984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	107.928	I2	C1	H4	107.928
I2	C1	H5	107.928	H3	C1	H4	110.970
H3	C1	H5	110.970	H4	C1	H5	110.970

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

using model chemistry: CCD/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: CCD/3-21G

States and conformations

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