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	hartrees
Energy at 0K	-2609.808723
Energy at 298.15K
HF Energy	-2609.519659
Nuclear repulsion energy	88.759743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	2979	18.63
2	A₁	1403	1322	30.87
3	A₁	624	588	10.87
4	E	3281	3092	2.94
4	E	3281	3092	2.94
5	E	1526	1438	4.42
5	E	1526	1438	4.42
6	E	1006	948	3.89
6	E	1006	948	3.89

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.530
Br2	0.000	0.000	0.422
H3	0.000	1.031	-1.863
H4	0.893	-0.516	-1.863
H5	-0.893	-0.516	-1.863

	C1	Br2	H3	H4	H5
C1		1.9522	1.0839	1.0839	1.0839
Br2	1.9522		2.5074	2.5074	2.5074
H3	1.0839	2.5074		1.7865	1.7865
H4	1.0839	2.5074	1.7865		1.7865
H5	1.0839	2.5074	1.7865	1.7865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.906	Br2	C1	H4	107.906
Br2	C1	H5	107.906	H3	C1	H4	110.990
H3	C1	H5	110.990	H4	C1	H5	110.990

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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