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	hartrees
Energy at 0K	-6927.536548
Energy at 298.15K
HF Energy	-6927.303022
Nuclear repulsion energy	116.561909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3079	2959	10.52
2	A₁	1356	1304	30.34
3	A₁	535	514	4.19
4	E	3180	3057	1.32
4	E	3180	3057	1.32
5	E	1545	1485	6.59
5	E	1545	1485	6.59
6	E	930	893	7.75
6	E	930	893	7.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.871
I2	0.000	0.000	0.336
H3	0.000	1.042	-2.198
H4	0.903	-0.521	-2.198
H5	-0.903	-0.521	-2.198

	C1	I2	H3	H4	H5
C1		2.2068	1.0924	1.0924	1.0924
I2	2.2068		2.7398	2.7398	2.7398
H3	1.0924	2.7398		1.8053	1.8053
H4	1.0924	2.7398	1.8053		1.8053
H5	1.0924	2.7398	1.8053	1.8053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	107.416	I2	C1	H4	107.416
I2	C1	H5	107.416	H3	C1	H4	111.446
H3	C1	H5	111.446	H4	C1	H5	111.446

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

using model chemistry: QCISD/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/3-21G*

States and conformations

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