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	hartrees
Energy at 0K	-2612.257225
Energy at 298.15K
HF Energy	-2611.989746
Nuclear repulsion energy	89.060956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3146	2911	21.18
2	A₁	1413	1307	24.09
3	A₁	638	591	12.11
4	E	3254	3011	4.98
4	E	3254	3011	4.98
5	E	1533	1418	6.87
5	E	1533	1418	6.87
6	E	1014	938	7.31
6	E	1014	938	7.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.522
Br2	0.000	0.000	0.421
H3	0.000	1.030	-1.862
H4	0.892	-0.515	-1.862
H5	-0.892	-0.515	-1.862

	C1	Br2	H3	H4	H5
C1		1.9428	1.0847	1.0847	1.0847
Br2	1.9428		2.5039	2.5039	2.5039
H3	1.0847	2.5039		1.7845	1.7845
H4	1.0847	2.5039	1.7845		1.7845
H5	1.0847	2.5039	1.7845	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.227	Br2	C1	H4	108.227
Br2	C1	H5	108.227	H3	C1	H4	110.686
H3	C1	H5	110.686	H4	C1	H5	110.686

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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