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	hartrees
Energy at 0K	-6927.386436
Energy at 298.15K
HF Energy	-6927.236036
Nuclear repulsion energy	115.839070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3072	3043
2	A₁	1355	1342
3	A₁	509	504
4	E	3174	3144
4	E	3174	3144
5	E	1540	1526
5	E	1540	1525
6	E	923	914
6	E	923	914

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.883
I2	0.000	0.000	0.339
H3	0.000	1.041	-2.216
H4	0.902	-0.521	-2.216
H5	-0.902	-0.521	-2.216

	C1	I2	H3	H4	H5
C1		2.2218	1.0928	1.0928	1.0928
I2	2.2218		2.7582	2.7582	2.7582
H3	1.0928	2.7582		1.8031	1.8031
H4	1.0928	2.7582	1.8031		1.8031
H5	1.0928	2.7582	1.8031	1.8031

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	107.708	I2	C1	H4	107.708
I2	C1	H5	107.708	H3	C1	H4	111.176
H3	C1	H5	111.176	H4	C1	H5	111.175

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

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

States and conformations

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