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	hartrees
Energy at 0K	-6956.803092
Energy at 298.15K
HF Energy	-6956.438443
Nuclear repulsion energy	119.364373

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3125	2969	11.57
2	A₁	1331	1265	33.09
3	A₁	559	531	1.70
4	E	3244	3082	0.97
4	E	3244	3082	0.97
5	E	1487	1413	5.91
5	E	1487	1413	5.91
6	E	922	876	7.57
6	E	922	876	7.57

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	-0.517	-2.156
H5	-0.895	-0.517	-2.156

	C1	I2	H3	H4	H5
C1		2.1454	1.0873	1.0873	1.0873
I2	2.1454		2.6898	2.6898	2.6898
H3	1.0873	2.6898		1.7900	1.7900
H4	1.0873	2.6898	1.7900		1.7900
H5	1.0873	2.6898	1.7900	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	108.108	I2	C1	H4	108.108
I2	C1	H5	108.108	H3	C1	H4	110.799
H3	C1	H5	110.799	H4	C1	H5	110.799

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)