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	hartrees
Energy at 0K	-2612.544042
Energy at 298.15K
HF Energy	-2612.046544
Nuclear repulsion energy	89.245493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3093	3093
2	A₁	1344	1344
3	A₁	633	633
4	E	3204	3204
4	E	3204	3204
5	E	1487	1487
5	E	1487	1487
6	E	974	974
6	E	974	974

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.520
Br2	0.000	0.000	0.419
H3	0.000	1.032	-1.853
H4	0.894	-0.516	-1.853
H5	-0.894	-0.516	-1.853

	C1	Br2	H3	H4	H5
C1		1.9389	1.0846	1.0846	1.0846
Br2	1.9389		2.4960	2.4960	2.4960
H3	1.0846	2.4960		1.7874	1.7874
H4	1.0846	2.4960	1.7874		1.7874
H5	1.0846	2.4960	1.7874	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.927	Br2	C1	H4	107.927
Br2	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 CH₃Br (methyl bromide)

using model chemistry: MP4/Def2TZVPP

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/Def2TZVPP

States and conformations

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