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	hartrees
Energy at 0K	-2609.770690
Energy at 298.15K	-2609.776490
HF Energy	-2609.500269
Nuclear repulsion energy	88.397503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3129	2955	15.76
2	A₁	1386	1309	23.73
3	A₁	614	579	12.10
4	E	3242	3061	3.26
4	E	3242	3061	3.26
5	E	1528	1443	5.19
5	E	1528	1443	5.19
6	E	993	938	5.16
6	E	993	938	5.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.530
Br2	0.000	0.000	0.421
H3	0.000	1.041	-1.851
H4	0.902	-0.521	-1.851
H5	-0.902	-0.521	-1.851

	C1	Br2	H3	H4	H5
C1		1.9504	1.0897	1.0897	1.0897
Br2	1.9504		2.4991	2.4991	2.4991
H3	1.0897	2.4991		1.8033	1.8033
H4	1.0897	2.4991	1.8033		1.8033
H5	1.0897	2.4991	1.8033	1.8033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.161	Br2	C1	H4	107.161
Br2	C1	H5	107.161	H3	C1	H4	111.679
H3	C1	H5	111.679	H4	C1	H5	111.679

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

using model chemistry: CCSD/6-31G*

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/6-31G*

States and conformations

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