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	hartrees
Energy at 0K	-2611.108525
Energy at 298.15K
HF Energy	-2611.011347
Nuclear repulsion energy	88.649288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3247	3088	1.87
2	A	3247	3088	1.87
3	A	3130	2977	18.06
4	A	1505	1431	5.84
4	A	1505	1431	5.85
5	A	1372	1304	29.44
5	A	992	944	5.09
6	A	992	944	5.09
6	A	606	576	13.26

Atom	x (Å)	y (Å)	z (Å)
C1	1.533	0.000	-0.000
Br2	-0.423	0.000	0.000
H3	1.864	-0.032	1.033
H4	1.864	-0.878	-0.544
H5	1.864	0.911	-0.488

	C1	Br2	H3	H4	H5
C1		1.9552	1.0850	1.0850	1.0850
Br2	1.9552		2.5089	2.5090	2.5090
H3	1.0850	2.5089		1.7896	1.7896
H4	1.0850	2.5090	1.7896		1.7897
H5	1.0850	2.5090	1.7896	1.7897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.769	Br2	C1	H4	107.772
Br2	C1	H5	107.771	H3	C1	H4	111.115
H3	C1	H5	111.115	H4	C1	H5	111.120

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

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

States and conformations

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