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	hartrees
Energy at 0K	-2609.810955
Energy at 298.15K
HF Energy	-2609.519612
Nuclear repulsion energy	88.583825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3151	2979	19.39
2	A₁	1394	1318	33.08
3	A₁	613	579	12.26
4	E	3269	3091	3.15
4	E	3269	3091	3.15
5	E	1522	1439	4.29
5	E	1522	1439	4.29
6	E	1002	947	3.81
6	E	1002	947	3.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.534
Br2	0.000	0.000	0.423
H3	0.000	1.033	-1.865
H4	0.894	-0.516	-1.865
H5	-0.894	-0.516	-1.865

	C1	Br2	H3	H4	H5
C1		1.9571	1.0845	1.0845	1.0845
Br2	1.9571		2.5104	2.5104	2.5104
H3	1.0845	2.5104		1.7888	1.7888
H4	1.0845	2.5104	1.7888		1.7888
H5	1.0845	2.5104	1.7888	1.7888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.771	Br2	C1	H4	107.771
Br2	C1	H5	107.771	H3	C1	H4	111.117
H3	C1	H5	111.117	H4	C1	H5	111.117

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

using model chemistry: QCISD/6-31+G**

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/6-31+G**

States and conformations

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