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	hartrees
Energy at 0K	-2612.515516
Energy at 298.15K
HF Energy	-2612.040195
Nuclear repulsion energy	88.815134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3124	2960	19.58
2	A₁	1388	1315	32.34
3	A₁	624	591	11.06
4	E	3236	3067	4.35
4	E	3236	3067	4.35
5	E	1500	1421	4.22
5	E	1500	1421	4.22
6	E	989	937	4.11
6	E	989	937	4.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.529
Br2	0.000	0.000	0.422
H3	0.000	1.031	-1.863
H4	0.893	-0.515	-1.863
H5	-0.893	-0.515	-1.863

	C1	Br2	H3	H4	H5
C1		1.9506	1.0836	1.0836	1.0836
Br2	1.9506		2.5069	2.5069	2.5069
H3	1.0836	2.5069		1.7852	1.7852
H4	1.0836	2.5069	1.7852		1.7852
H5	1.0836	2.5069	1.7852	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.987	Br2	C1	H4	107.987
Br2	C1	H5	107.987	H3	C1	H4	110.913
H3	C1	H5	110.913	H4	C1	H5	110.913

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

using model chemistry: CCSD=FULL/TZVP

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: CCSD=FULL/TZVP

States and conformations

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