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	hartrees
Energy at 0K	-2611.108541
Energy at 298.15K
HF Energy	-2611.011364
Nuclear repulsion energy	88.663198

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	3130	3130	18.16	113.41	0.00	0.00
2	A₁	1373	1373	29.60	0.85	0.13	0.23
3	A₁	609	609	13.16	24.77	0.23	0.37
4	E	3246	3246	1.90	59.47	0.75	0.86
4	E	3246	3246	1.90	59.47	0.75	0.86
5	E	1505	1505	5.86	8.72	0.75	0.86
5	E	1505	1505	5.86	8.72	0.75	0.86
6	E	992	992	5.13	3.40	0.75	0.86
6	E	992	992	5.13	3.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.532
Br2	0.000	0.000	0.422
H3	0.000	1.033	-1.865
H4	0.894	-0.516	-1.865
H5	-0.894	-0.516	-1.865

	C1	Br2	H3	H4	H5
C1		1.9546	1.0850	1.0850	1.0850
Br2	1.9546		2.5094	2.5094	2.5094
H3	1.0850	2.5094		1.7890	1.7890
H4	1.0850	2.5094	1.7890		1.7890
H5	1.0850	2.5094	1.7890	1.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.839	Br2	C1	H4	107.839
Br2	C1	H5	107.839	H3	C1	H4	111.053
H3	C1	H5	111.053	H4	C1	H5	111.053

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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/6-31+G**

States and conformations

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