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	hartrees
Energy at 0K	-2612.279371
Energy at 298.15K
HF Energy	-2612.000435
Nuclear repulsion energy	89.015531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	2920	19.25
2	A₁	1373	1269	27.00
3	A₁	646	597	11.43
4	E	3278	3029	3.03
4	E	3278	3029	3.03
5	E	1503	1389	4.99
5	E	1503	1389	4.99
6	E	992	917	4.82
6	E	992	917	4.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.520
Br2	0.000	0.000	0.420
H3	0.000	1.040	-1.862
H4	0.900	-0.520	-1.862
H5	-0.900	-0.520	-1.862

	C1	Br2	H3	H4	H5
C1		1.9402	1.0945	1.0945	1.0945
Br2	1.9402		2.5080	2.5080	2.5080
H3	1.0945	2.5080		1.8007	1.8007
H4	1.0945	2.5080	1.8007		1.8007
H5	1.0945	2.5080	1.8007	1.8007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.215	Br2	C1	H4	108.215
Br2	C1	H5	108.215	H3	C1	H4	110.697
H3	C1	H5	110.697	H4	C1	H5	110.697

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

using model chemistry: CID/cc-pVDZ

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: CID/cc-pVDZ

States and conformations

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