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	hartrees
Energy at 0K	-334.704379
Energy at 298.15K
HF Energy	-334.291100
Nuclear repulsion energy	61.673647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	4309	4309	7.03
2	A₁	1996	1996	95.72
3	A₁	367	367	1.15
4	E	2492	2492	29.44
4	E	2492	2492	29.44
5	E	1985	1985	42.69
5	E	1985	1985	42.69
6	E	1167	1167	5.23
6	E	1167	1167	5.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.810
I2	0.000	0.000	0.326
H3	0.000	1.031	-2.142
H4	0.893	-0.516	-2.142
H5	-0.893	-0.516	-2.142

	C1	I2	H3	H4	H5
C1		2.1363	1.0833	1.0833	1.0833
I2	2.1363		2.6752	2.6752	2.6752
H3	1.0833	2.6752		1.7859	1.7859
H4	1.0833	2.6752	1.7859		1.7859
H5	1.0833	2.6752	1.7859	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	107.861	I2	C1	H4	107.861
I2	C1	H5	107.861	H3	C1	H4	111.033
H3	C1	H5	111.033	H4	C1	H5	111.033

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

using model chemistry: QCISD/cc-pVTZ-PP

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/cc-pVTZ-PP

States and conformations

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