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	hartrees
Energy at 0K	-2612.540753
Energy at 298.15K
HF Energy	-2612.093034
Nuclear repulsion energy	89.472918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3102	3102	17.74
2	A₁	1358	1358	19.51
3	A₁	639	639	10.15
4	E	3207	3207	1.81
4	E	3207	3207	1.81
5	E	1503	1503	5.00
5	E	1503	1503	5.00
6	E	988	988	3.04
6	E	988	988	3.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.515
Br2	0.000	0.000	0.418
H3	0.000	1.031	-1.849
H4	0.893	-0.516	-1.849
H5	-0.893	-0.516	-1.849

	C1	Br2	H3	H4	H5
C1		1.9329	1.0841	1.0841	1.0841
Br2	1.9329		2.4910	2.4910	2.4910
H3	1.0841	2.4910		1.7861	1.7861
H4	1.0841	2.4910	1.7861		1.7861
H5	1.0841	2.4910	1.7861	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.976	Br2	C1	H4	107.976
Br2	C1	H5	107.976	H3	C1	H4	110.925
H3	C1	H5	110.925	H4	C1	H5	110.925

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

using model chemistry: QCISD/daug-cc-pVTZ

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: QCISD/daug-cc-pVTZ

States and conformations

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