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	hartrees
Energy at 0K	-2612.276866
Energy at 298.15K
HF Energy	-2611.994645
Nuclear repulsion energy	89.309387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3158	3158	19.93
2	A₁	1407	1407	28.56
3	A₁	650	650	10.90
4	E	3266	3266	4.80
4	E	3266	3266	4.80
5	E	1522	1522	5.08
5	E	1522	1522	5.08
6	E	1007	1007	5.60
6	E	1007	1007	5.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.517
Br2	0.000	0.000	0.419
H3	0.000	1.030	-1.857
H4	0.892	-0.515	-1.857
H5	-0.892	-0.515	-1.857

	C1	Br2	H3	H4	H5
C1		1.9361	1.0846	1.0846	1.0846
Br2	1.9361		2.4985	2.4985	2.4985
H3	1.0846	2.4985		1.7838	1.7838
H4	1.0846	2.4985	1.7838		1.7838
H5	1.0846	2.4985	1.7838	1.7838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.284	Br2	C1	H4	108.284
Br2	C1	H5	108.284	H3	C1	H4	110.632
H3	C1	H5	110.632	H4	C1	H5	110.632

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)