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	hartrees
Energy at 0K	-2612.621604
Energy at 298.15K
HF Energy	-2612.092975
Nuclear repulsion energy	89.605680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3109	3109
2	A₁	1355	1355
3	A₁	637	637
4	E	3193	3193
4	E	3193	3193
5	E	1502	1502
5	E	1502	1502
6	E	981	981
6	E	981	981

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.513
Br2	0.000	0.000	0.417
H3	0.000	1.031	-1.845
H4	0.893	-0.515	-1.845
H5	-0.893	-0.515	-1.845

	C1	Br2	H3	H4	H5
C1		1.9304	1.0827	1.0827	1.0827
Br2	1.9304		2.4859	2.4859	2.4859
H3	1.0827	2.4859		1.7850	1.7850
H4	1.0827	2.4859	1.7850		1.7850
H5	1.0827	2.4859	1.7850	1.7850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.847	Br2	C1	H4	107.847
Br2	C1	H5	107.847	H3	C1	H4	111.046
H3	C1	H5	111.046	H4	C1	H5	111.046

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

using model chemistry: QCISD(T)=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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