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	hartrees
Energy at 0K	-6957.296512
Energy at 298.15K
HF Energy	-6956.433515
Nuclear repulsion energy	119.135601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3130	2964	11.29
2	A₁	1351	1280	26.49
3	A₁	555	526	1.99
4	E	3250	3078	0.65
4	E	3250	3078	0.65
5	E	1511	1431	8.38
5	E	1511	1431	8.38
6	E	937	887	9.77
6	E	937	887	9.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.822
I2	0.000	0.000	0.329
H3	0.000	1.032	-2.160
H4	0.894	-0.516	-2.160
H5	-0.894	-0.516	-2.160

	C1	I2	H3	H4	H5
C1		2.1507	1.0858	1.0858	1.0858
I2	2.1507		2.6940	2.6940	2.6940
H3	1.0858	2.6940		1.7873	1.7873
H4	1.0858	2.6940	1.7873		1.7873
H5	1.0858	2.6940	1.7873	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	108.127	I2	C1	H4	108.127
I2	C1	H5	108.127	H3	C1	H4	110.781
H3	C1	H5	110.781	H4	C1	H5	110.781

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

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