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	hartrees
Energy at 0K	-2611.093005
Energy at 298.15K
HF Energy	-2610.996608
Nuclear repulsion energy	88.669873

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	3136	3136	16.12	104.95	0.00	0.01
2	A₁	1369	1369	28.11	0.88	0.65	0.79
3	A₁	611	611	13.31	18.58	0.27	0.42
4	E	3255	3255	2.89	57.14	0.75	0.86
4	E	3255	3255	2.89	57.14	0.75	0.86
5	E	1516	1516	4.75	13.49	0.75	0.86
5	E	1516	1516	4.75	13.49	0.75	0.86
6	E	984	984	5.24	5.78	0.75	0.86
6	E	984	984	5.24	5.78	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	-1.863
H4	0.894	-0.516	-1.863
H5	-0.894	-0.516	-1.863

	C1	Br2	H3	H4	H5
C1		1.9549	1.0845	1.0845	1.0845
Br2	1.9549		2.5081	2.5081	2.5081
H3	1.0845	2.5081		1.7889	1.7889
H4	1.0845	2.5081	1.7889		1.7889
H5	1.0845	2.5081	1.7889	1.7889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.756	Br2	C1	H4	107.756
Br2	C1	H5	107.756	H3	C1	H4	111.131
H3	C1	H5	111.131	H4	C1	H5	111.131

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

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

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=FULL/6-31G**

States and conformations

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