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	hartrees
Energy at 0K	-2612.542845
Energy at 298.15K
HF Energy	-2612.046550
Nuclear repulsion energy	89.192276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3093	3093
2	A₁	1344	1344
3	A₁	629	629
4	E	3201	3201
4	E	3201	3201
5	E	1487	1487
5	E	1487	1487
6	E	974	974
6	E	973	973

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.521
Br2	0.000	0.000	0.420
H3	0.000	1.032	-1.854
H4	0.894	-0.516	-1.854
H5	-0.894	-0.516	-1.854

	C1	Br2	H3	H4	H5
C1		1.9405	1.0845	1.0845	1.0845
Br2	1.9405		2.4967	2.4967	2.4967
H3	1.0845	2.4967		1.7877	1.7877
H4	1.0845	2.4967	1.7877		1.7877
H5	1.0845	2.4967	1.7877	1.7877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.877	Br2	C1	H4	107.877
Br2	C1	H5	107.877	H3	C1	H4	111.017
H3	C1	H5	111.017	H4	C1	H5	111.017

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

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

States and conformations

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