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	hartrees
Energy at 0K
Energy at 298.15K	0.015021
HF Energy	0.015021
Nuclear repulsion energy	32.326852

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.716
I2	0.000	0.000	0.312
H3	0.000	1.033	-2.074
H4	0.895	-0.517	-2.074
H5	-0.895	-0.517	-2.074

	C1	I2	H3	H4	H5
C1		2.0276	1.0933	1.0933	1.0933
I2	2.0276		2.5996	2.5996	2.5996
H3	1.0933	2.5996		1.7893	1.7893
H4	1.0933	2.5996	1.7893		1.7893
H5	1.0933	2.5996	1.7893	1.7893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	H3	109.107	I2	C1	H4	109.107
I2	C1	H5	109.107	H3	C1	H4	109.833
H3	C1	H5	109.833	H4	C1	H5	109.833

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

using model chemistry: PM3

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: PM3

States and conformations

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