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	hartrees
Energy at 0K	-2599.591730
Energy at 298.15K
HF Energy	-2599.448742
Nuclear repulsion energy	86.646443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	2923	12.81
2	A₁	1420	1323	19.19
3	A₁	597	556	9.10
4	E	3236	3014	5.83
4	E	3236	3014	5.83
5	E	1566	1459	8.55
5	E	1566	1459	8.55
6	E	990	922	7.18
6	E	990	922	7.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.576
Br2	0.000	0.000	0.434
H3	0.000	1.036	-1.907
H4	0.898	-0.518	-1.907
H5	-0.898	-0.518	-1.907

	C1	Br2	H3	H4	H5
C1		2.0095	1.0880	1.0880	1.0880
Br2	2.0095		2.5598	2.5598	2.5598
H3	1.0880	2.5598		1.7950	1.7950
H4	1.0880	2.5598	1.7950		1.7950
H5	1.0880	2.5598	1.7950	1.7950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.722	Br2	C1	H4	107.722
Br2	C1	H5	107.722	H3	C1	H4	111.163
H3	C1	H5	111.163	H4	C1	H5	111.163

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

using model chemistry: CID/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: CID/3-21G

States and conformations

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