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	hartrees
Energy at 0K	-2610.125584
Energy at 298.15K
HF Energy	-2609.686172
Nuclear repulsion energy	90.380467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3142	2958	14.32
2	A₁	1392	1310	15.40
3	A₁	672	632	8.08
4	E	3246	3056	1.72
4	E	3246	3056	1.72
5	E	1527	1438	4.77
5	E	1527	1438	4.77
6	E	1006	947	4.27
6	E	1006	947	4.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.492
Br2	0.000	0.000	0.414
H3	0.000	1.026	-1.845
H4	0.888	-0.513	-1.845
H5	-0.888	-0.513	-1.845

	C1	Br2	H3	H4	H5
C1		1.9058	1.0849	1.0849	1.0849
Br2	1.9058		2.4807	2.4807	2.4807
H3	1.0849	2.4807		1.7770	1.7770
H4	1.0849	2.4807	1.7770		1.7770
H5	1.0849	2.4807	1.7770	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.979	Br2	C1	H4	108.979
Br2	C1	H5	108.979	H3	C1	H4	109.959
H3	C1	H5	109.959	H4	C1	H5	109.959

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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: CCSD=FULL/6-31G(2df,p)

States and conformations

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