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	hartrees
Energy at 0K	-2612.627804
Energy at 298.15K
HF Energy	-2612.046613
Nuclear repulsion energy	89.329644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3090	3090
2	A₁	1349	1349
3	A₁	634	634
4	E	3198	3198
4	E	3198	3198
5	E	1489	1489
5	E	1489	1489
6	E	978	978
6	E	978	978

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.518
Br2	0.000	0.000	0.419
H3	0.000	1.030	-1.852
H4	0.892	-0.515	-1.852
H5	-0.892	-0.515	-1.852

	C1	Br2	H3	H4	H5
C1		1.9375	1.0825	1.0825	1.0825
Br2	1.9375		2.4934	2.4934	2.4934
H3	1.0825	2.4934		1.7839	1.7839
H4	1.0825	2.4934	1.7839		1.7839
H5	1.0825	2.4934	1.7839	1.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.932	Br2	C1	H4	107.932
Br2	C1	H5	107.932	H3	C1	H4	110.965
H3	C1	H5	110.965	H4	C1	H5	110.965

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

using model chemistry: QCISD(T)=FULL/Def2TZVPP

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(T)=FULL/Def2TZVPP

States and conformations

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