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	hartrees
Energy at 0K	-2609.793546
Energy at 298.15K
HF Energy	-2609.505783
Nuclear repulsion energy	88.753104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3169	2972	16.89
2	A₁	1399	1312	28.65
3	A₁	626	587	10.78
4	E	3290	3085	4.04
4	E	3290	3085	4.04
5	E	1541	1445	3.67
5	E	1541	1445	3.67
6	E	1001	939	4.16
6	E	1001	939	4.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.531
Br2	0.000	0.000	0.422
H3	0.000	1.031	-1.862
H4	0.893	-0.516	-1.862
H5	-0.893	-0.516	-1.862

	C1	Br2	H3	H4	H5
C1		1.9529	1.0834	1.0834	1.0834
Br2	1.9529		2.5064	2.5064	2.5064
H3	1.0834	2.5064		1.7866	1.7866
H4	1.0834	2.5064	1.7866		1.7866
H5	1.0834	2.5064	1.7866	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.810	Br2	C1	H4	107.810
Br2	C1	H5	107.810	H3	C1	H4	111.080
H3	C1	H5	111.080	H4	C1	H5	111.080

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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