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	hartrees
Energy at 0K	-2612.323172
Energy at 298.15K
HF Energy	-2612.000165
Nuclear repulsion energy	88.637574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3096	2988
2	A₁	1337	1290
3	A₁	626	604
4	E	3217	3105
4	E	3217	3105
5	E	1473	1422
5	E	1473	1421
6	E	966	932
6	E	966	932

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.526
Br2	0.000	0.000	0.422
H3	0.000	1.044	-1.871
H4	0.904	-0.522	-1.871
H5	-0.904	-0.522	-1.871

	C1	Br2	H3	H4	H5
C1		1.9482	1.0997	1.0997	1.0997
Br2	1.9482		2.5192	2.5192	2.5192
H3	1.0997	2.5192		1.8089	1.8089
H4	1.0997	2.5192	1.8089		1.8089
H5	1.0997	2.5192	1.8089	1.8089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.251	Br2	C1	H4	108.251
Br2	C1	H5	108.251	H3	C1	H4	110.663
H3	C1	H5	110.663	H4	C1	H5	110.663

All results from a given calculation for CH₃Br (methyl bromide)

using model chemistry: MP4=FULL/cc-pVDZ

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 CH3Br (methyl bromide)

using model chemistry: MP4=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃Br (methyl bromide)