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	hartrees
Energy at 0K	-2612.507671
Energy at 298.15K
HF Energy	-2612.040248
Nuclear repulsion energy	88.970876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3151	2942	17.50
2	A₁	1395	1302	29.99
3	A₁	633	591	10.20
4	E	3265	3049	3.71
4	E	3265	3049	3.71
5	E	1504	1404	4.54
5	E	1504	1404	4.54
6	E	993	927	4.31
6	E	993	927	4.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.526
Br2	0.000	0.000	0.421
H3	0.000	1.029	-1.860
H4	0.891	-0.514	-1.860
H5	-0.891	-0.514	-1.860

	C1	Br2	H3	H4	H5
C1		1.9471	1.0818	1.0818	1.0818
Br2	1.9471		2.5028	2.5028	2.5028
H3	1.0818	2.5028		1.7819	1.7819
H4	1.0818	2.5028	1.7819		1.7819
H5	1.0818	2.5028	1.7819	1.7819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.011	Br2	C1	H4	108.011
Br2	C1	H5	108.011	H3	C1	H4	110.892
H3	C1	H5	110.892	H4	C1	H5	110.891

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

using model chemistry: MP3=FULL/TZVP

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: MP3=FULL/TZVP

States and conformations

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