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	hartrees
Energy at 0K	-2612.327866
Energy at 298.15K
HF Energy	-2612.005154
Nuclear repulsion energy	88.626159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3095	2985	18.77
2	A₁	1339	1292	21.60
3	A₁	630	608	10.03
4	E	3209	3095	2.74
4	E	3209	3095	2.74
5	E	1467	1415	4.19
5	E	1467	1415	4.19
6	E	973	939	3.23
6	E	973	939	3.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.528
Br2	0.000	0.000	0.422
H3	0.000	1.044	-1.867
H4	0.904	-0.522	-1.867
H5	-0.904	-0.522	-1.867

	C1	Br2	H3	H4	H5
C1		1.9504	1.0971	1.0971	1.0971
Br2	1.9504		2.5155	2.5155	2.5155
H3	1.0971	2.5155		1.8076	1.8076
H4	1.0971	2.5155	1.8076		1.8076
H5	1.0971	2.5155	1.8076	1.8076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.971	Br2	C1	H4	107.971
Br2	C1	H5	107.971	H3	C1	H4	110.929
H3	C1	H5	110.929	H4	C1	H5	110.929

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

using model chemistry: CCD/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: CCD/aug-cc-pVDZ

States and conformations

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