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	hartrees
Energy at 0K	-2612.554863
Energy at 298.15K
HF Energy	-2612.092914
Nuclear repulsion energy	89.203941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3084	2982
2	A₁	1347	1302
3	A₁	626	605
4	E	3192	3086
4	E	3192	3086
5	E	1491	1441
5	E	1490	1441
6	E	975	943
6	E	975	943

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.521
Br2	0.000	0.000	0.419
H3	0.000	1.034	-1.852
H4	0.895	-0.517	-1.852
H5	-0.895	-0.517	-1.852

	C1	Br2	H3	H4	H5
C1		1.9401	1.0856	1.0856	1.0856
Br2	1.9401		2.4956	2.4956	2.4956
H3	1.0856	2.4956		1.7907	1.7907
H4	1.0856	2.4956	1.7907		1.7907
H5	1.0856	2.4956	1.7907	1.7907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.764	Br2	C1	H4	107.764
Br2	C1	H5	107.764	H3	C1	H4	111.123
H3	C1	H5	111.123	H4	C1	H5	111.123

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

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

States and conformations

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