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	hartrees
Energy at 0K	-6957.319328
Energy at 298.15K
HF Energy	-6956.438455
Nuclear repulsion energy	119.357443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3130	2969	11.33
2	A₁	1331	1263	32.14
3	A₁	559	530	1.51
4	E	3249	3082	0.90
4	E	3249	3082	0.90
5	E	1487	1410	6.03
5	E	1487	1410	6.03
6	E	921	874	7.73
6	E	921	874	7.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.818
I2	0.000	0.000	0.328
H3	0.000	1.033	-2.156
H4	0.895	-0.516	-2.156
H5	-0.895	-0.516	-2.156

	C1	I2	H3	H4	H5
C1		2.1455	1.0870	1.0870	1.0870
I2	2.1455		2.6903	2.6903	2.6903
H3	1.0870	2.6903		1.7890	1.7890
H4	1.0870	2.6903	1.7890		1.7890
H5	1.0870	2.6903	1.7890	1.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	108.146	I2	C1	H4	108.146
I2	C1	H5	108.146	H3	C1	H4	110.763
H3	C1	H5	110.763	H4	C1	H5	110.763

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)