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	hartrees
Energy at 0K	-2601.208179
Energy at 298.15K
HF Energy	-2601.130274
Nuclear repulsion energy	88.333803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3122	3122	14.22	95.57	0.00	0.01
2	A₁	1408	1408	17.19	1.73	0.60	0.75
3	A₁	623	623	11.11	17.79	0.29	0.45
4	E	3222	3222	3.61	55.60	0.75	0.86
4	E	3222	3222	3.61	55.60	0.75	0.86
5	E	1564	1564	7.88	18.37	0.75	0.86
5	E	1564	1564	7.88	18.37	0.75	0.86
6	E	998	998	7.83	7.52	0.75	0.86
6	E	998	998	7.83	7.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.538
Br2	0.000	0.000	0.424
H3	0.000	1.034	-1.873
H4	0.896	-0.517	-1.873
H5	-0.896	-0.517	-1.873

	C1	Br2	H3	H4	H5
C1		1.9624	1.0871	1.0871	1.0871
Br2	1.9624		2.5190	2.5190	2.5190
H3	1.0871	2.5190		1.7916	1.7916
H4	1.0871	2.5190	1.7916		1.7916
H5	1.0871	2.5190	1.7916	1.7916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.917	Br2	C1	H4	107.917
Br2	C1	H5	107.917	H3	C1	H4	110.980
H3	C1	H5	110.980	H4	C1	H5	110.980

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

using model chemistry: B2PLYP=FULLultrafine/3-21G*

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: B2PLYP=FULLultrafine/3-21G*

States and conformations

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