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	hartrees
Energy at 0K	-2609.807883
Energy at 298.15K
HF Energy	-2609.500194
Nuclear repulsion energy	88.363198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3110	3110
2	A₁	1377	1377
3	A₁	607	607
4	E	3223	3223
4	E	3223	3223
5	E	1521	1521
5	E	1520	1520
6	E	986	986
6	E	986	986

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.537
Br2	0.000	0.000	0.424
H3	0.000	1.039	-1.869
H4	0.899	-0.519	-1.869
H5	-0.899	-0.519	-1.869

	C1	Br2	H3	H4	H5
C1		1.9608	1.0905	1.0905	1.0905
Br2	1.9608		2.5173	2.5173	2.5173
H3	1.0905	2.5173		1.7990	1.7990
H4	1.0905	2.5173	1.7990		1.7990
H5	1.0905	2.5173	1.7990	1.7990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.741	Br2	C1	H4	107.741
Br2	C1	H5	107.741	H3	C1	H4	111.144
H3	C1	H5	111.144	H4	C1	H5	111.145

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

using model chemistry: QCISD(T)=FULL/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: QCISD(T)=FULL/6-31G*

States and conformations

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