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	hartrees
Energy at 0K	-334.662045
Energy at 298.15K
HF Energy	-334.291145
Nuclear repulsion energy	61.950409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3168	3168	12.70
2	A₁	1341	1341	32.89
3	A₁	580	580	2.39
4	E	3280	3280	0.69
4	E	3280	3280	0.69
5	E	1521	1521	4.91
5	E	1521	1521	4.91
6	E	932	932	5.55
6	E	932	932	5.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.802
I2	0.000	0.000	0.325
H3	0.000	1.026	-2.134
H4	0.889	-0.513	-2.134
H5	-0.889	-0.513	-2.134

	C1	I2	H3	H4	H5
C1		2.1266	1.0783	1.0783	1.0783
I2	2.1266		2.6640	2.6640	2.6640
H3	1.0783	2.6640		1.7770	1.7770
H4	1.0783	2.6640	1.7770		1.7770
H5	1.0783	2.6640	1.7770	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	107.927	I2	C1	H4	107.927
I2	C1	H5	107.927	H3	C1	H4	110.971
H3	C1	H5	110.971	H4	C1	H5	110.971

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

using model chemistry: CISD/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: CISD/cc-pVTZ-PP

States and conformations

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