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	hartrees
Energy at 0K	-6956.820753
Energy at 298.15K
HF Energy	-6956.438416
Nuclear repulsion energy	119.075343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3116	2976	13.80
2	A₁	1341	1281	35.19
3	A₁	553	528	1.57
4	E	3226	3081	2.11
4	E	3226	3081	2.11
5	E	1492	1425	5.24
5	E	1492	1425	5.24
6	E	922	881	6.83
6	E	922	881	6.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.822
I2	0.000	0.000	0.329
H3	0.000	1.034	-2.162
H4	0.896	-0.517	-2.162
H5	-0.896	-0.517	-2.162

	C1	I2	H3	H4	H5
C1		2.1510	1.0884	1.0884	1.0884
I2	2.1510		2.6965	2.6965	2.6965
H3	1.0884	2.6965		1.7911	1.7911
H4	1.0884	2.6965	1.7911		1.7911
H5	1.0884	2.6965	1.7911	1.7911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	108.169	I2	C1	H4	108.169
I2	C1	H5	108.169	H3	C1	H4	110.741
H3	C1	H5	110.741	H4	C1	H5	110.741

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

using model chemistry: CCD/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: CCD/6-311G**

States and conformations

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