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	hartrees
Energy at 0K	-2612.255672
Energy at 298.15K
HF Energy	-2611.989747
Nuclear repulsion energy	89.154335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	2927	20.43
2	A₁	1417	1316	22.84
3	A₁	644	599	11.50
4	E	3259	3028	4.58
4	E	3259	3028	4.58
5	E	1534	1425	7.07
5	E	1534	1425	7.07
6	E	1016	944	7.47
6	E	1016	944	7.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.520
Br2	0.000	0.000	0.420
H3	0.000	1.030	-1.860
H4	0.892	-0.515	-1.860
H5	-0.892	-0.515	-1.860

	C1	Br2	H3	H4	H5
C1		1.9403	1.0845	1.0845	1.0845
Br2	1.9403		2.5021	2.5021	2.5021
H3	1.0845	2.5021		1.7836	1.7836
H4	1.0845	2.5021	1.7836		1.7836
H5	1.0845	2.5021	1.7836	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.280	Br2	C1	H4	108.280
Br2	C1	H5	108.280	H3	C1	H4	110.636
H3	C1	H5	110.636	H4	C1	H5	110.636

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

using model chemistry: CID/6-311G*

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/6-311G*

States and conformations

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