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	hartrees
Energy at 0K	-6956.780660
Energy at 298.15K	-6956.781734
HF Energy	-6956.433497
Nuclear repulsion energy	119.079898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3125	2970	11.53
2	A₁	1350	1283	27.35
3	A₁	553	525	2.24
4	E	3246	3084	0.70
4	E	3246	3084	0.70
5	E	1511	1436	8.21
5	E	1511	1436	8.21
6	E	938	891	9.55
6	E	938	891	9.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.823
I2	0.000	0.000	0.328
H3	0.000	1.034	-2.156
H4	0.895	-0.517	-2.156
H5	-0.895	-0.517	-2.156

	C1	I2	H3	H4	H5
C1		2.1512	1.0861	1.0861	1.0861
I2	2.1512		2.6907	2.6907	2.6907
H3	1.0861	2.6907		1.7906	1.7906
H4	1.0861	2.6907	1.7906		1.7906
H5	1.0861	2.6907	1.7906	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	107.852	I2	C1	H4	107.852
I2	C1	H5	107.852	H3	C1	H4	111.040
H3	C1	H5	111.040	H4	C1	H5	111.041

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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