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	hartrees
Energy at 0K	-2612.351723
Energy at 298.15K
HF Energy	-2612.005088
Nuclear repulsion energy	88.365749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3076	2987
2	A₁	1318	1280
3	A₁	609	592
4	E	3192	3101
4	E	3192	3100
5	E	1456	1414
5	E	1455	1413
6	E	958	931
6	E	958	931

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.535
Br2	0.000	0.000	0.423
H3	0.000	1.046	-1.869
H4	0.906	-0.523	-1.869
H5	-0.906	-0.523	-1.869

	C1	Br2	H3	H4	H5
C1		1.9579	1.0979	1.0979	1.0979
Br2	1.9579		2.5194	2.5194	2.5194
H3	1.0979	2.5194		1.8113	1.8113
H4	1.0979	2.5194	1.8113		1.8113
H5	1.0979	2.5194	1.8113	1.8113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.724	Br2	C1	H4	107.724
Br2	C1	H5	107.724	H3	C1	H4	111.160
H3	C1	H5	111.160	H4	C1	H5	111.160

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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(T)=FULL/aug-cc-pVDZ

States and conformations

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