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	hartrees
Energy at 0K	-2608.594827
Energy at 298.15K
HF Energy	-2608.594827
Nuclear repulsion energy	89.562618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3031	2974	10.00
2	A₁	1283	1259	10.98
3	A₁	628	616	8.55
4	E	3150	3092	0.37
4	E	3150	3092	0.37
5	E	1421	1394	8.48
5	E	1421	1394	8.48
6	E	932	915	8.27
6	E	932	915	8.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.508
Br2	0.000	0.000	0.417
H3	0.000	1.041	-1.852
H4	0.902	-0.521	-1.852
H5	-0.902	-0.521	-1.852

	C1	Br2	H3	H4	H5
C1		1.9246	1.0968	1.0968	1.0968
Br2	1.9246		2.4963	2.4963	2.4963
H3	1.0968	2.4963		1.8039	1.8039
H4	1.0968	2.4963	1.8039		1.8039
H5	1.0968	2.4963	1.8039	1.8039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.279	Br2	C1	H4	108.279
Br2	C1	H5	108.279	H3	C1	H4	110.637
H3	C1	H5	110.637	H4	C1	H5	110.637

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

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

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	-0.455
2	Br	-0.125
3	H	0.193
4	H	0.193
5	H	0.193

<r²>	48.351
(<r²>)^1/2	6.953

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

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

States and conformations

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