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	hartrees
Energy at 0K	-2612.301777
Energy at 298.15K
HF Energy	-2612.005969
Nuclear repulsion energy	88.949816

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3145	3145	19.13
2	A₁	1363	1363	23.10
3	A₁	640	640	12.33
4	E	3260	3260	2.50
4	E	3260	3260	2.50
5	E	1492	1492	4.51
5	E	1492	1492	4.51
6	E	991	991	3.12
6	E	991	991	3.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.523
Br2	0.000	0.000	0.421
H3	0.000	1.039	-1.860
H4	0.900	-0.519	-1.860
H5	-0.900	-0.519	-1.860

	C1	Br2	H3	H4	H5
C1		1.9438	1.0921	1.0921	1.0921
Br2	1.9438		2.5058	2.5058	2.5058
H3	1.0921	2.5058		1.7996	1.7996
H4	1.0921	2.5058	1.7996		1.7996
H5	1.0921	2.5058	1.7996	1.7996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.944	Br2	C1	H4	107.944
Br2	C1	H5	107.944	H3	C1	H4	110.955
H3	C1	H5	110.955	H4	C1	H5	110.955

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

using model chemistry: CID/daug-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/daug-cc-pVDZ

States and conformations

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