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	hartrees
Energy at 0K	-2612.281169
Energy at 298.15K
HF Energy	-2611.989535
Nuclear repulsion energy	88.742013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	2958	20.95
2	A₁	1388	1329	22.26
3	A₁	623	596	10.52
4	E	3197	3061	5.38
4	E	3197	3061	5.38
5	E	1507	1442	6.64
5	E	1507	1442	6.64
6	E	996	953	7.25
6	E	996	953	7.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.528
Br2	0.000	0.000	0.422
H3	0.000	1.035	-1.868
H4	0.896	-0.517	-1.868
H5	-0.896	-0.517	-1.868

	C1	Br2	H3	H4	H5
C1		1.9496	1.0892	1.0892	1.0892
Br2	1.9496		2.5129	2.5129	2.5129
H3	1.0892	2.5129		1.7920	1.7920
H4	1.0892	2.5129	1.7920		1.7920
H5	1.0892	2.5129	1.7920	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.215	Br2	C1	H4	108.215
Br2	C1	H5	108.215	H3	C1	H4	110.698
H3	C1	H5	110.698	H4	C1	H5	110.698

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

using model chemistry: QCISD/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: QCISD/6-311G*

States and conformations

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