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	hartrees
Energy at 0K	-6927.541664
Energy at 298.15K
HF Energy	-6927.302850
Nuclear repulsion energy	116.298277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3064	2922
2	A₁	1345	1283
3	A₁	526	501
4	E	3168	3021
4	E	3167	3021
5	E	1539	1468
5	E	1539	1467
6	E	921	879
6	E	921	879

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.876
I2	0.000	0.000	0.337
H3	0.000	1.044	-2.201
H4	0.904	-0.522	-2.201
H5	-0.904	-0.522	-2.201

	C1	I2	H3	H4	H5
C1		2.2127	1.0935	1.0934	1.0934
I2	2.2127		2.7442	2.7442	2.7442
H3	1.0935	2.7442		1.8082	1.8082
H4	1.0934	2.7442	1.8082		1.8082
H5	1.0934	2.7442	1.8082	1.8082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	107.300	I2	C1	H4	107.300
I2	C1	H5	107.300	H3	C1	H4	111.553
H3	C1	H5	111.553	H4	C1	H5	111.553

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

using model chemistry: QCISD(T)/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: QCISD(T)/3-21G*

States and conformations

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