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	hartrees
Energy at 0K	-2608.610560
Energy at 298.15K
HF Energy	-2608.610560
Nuclear repulsion energy	89.559837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3025	2979	11.75
2	A₁	1290	1270	11.61
3	A₁	627	617	7.93
4	E	3141	3094	0.09
4	E	3141	3094	0.09
5	E	1411	1390	9.80
5	E	1411	1390	9.80
6	E	943	929	8.41
6	E	943	929	8.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.507
Br2	0.000	0.000	0.417
H3	0.000	1.041	-1.854
H4	0.902	-0.521	-1.854
H5	-0.902	-0.521	-1.854

	C1	Br2	H3	H4	H5
C1		1.9240	1.0975	1.0975	1.0975
Br2	1.9240		2.4982	2.4982	2.4982
H3	1.0975	2.4982		1.8034	1.8034
H4	1.0975	2.4982	1.8034		1.8034
H5	1.0975	2.4982	1.8034	1.8034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.430	Br2	C1	H4	108.430
Br2	C1	H5	108.430	H3	C1	H4	110.492
H3	C1	H5	110.492	H4	C1	H5	110.492

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.519
2	Br	-0.141
3	H	0.220
4	H	0.220
5	H	0.220

	x	y	z	Total
	0.000	0.000	-1.985	1.985
CHELPG
AIM
ESP

<r²>	48.748
(<r²>)^1/2	6.982

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

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

States and conformations

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