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	hartrees
Energy at 0K	-2609.485600
Energy at 298.15K
HF Energy	-2609.355421
Nuclear repulsion energy	86.697847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3132	3132
2	A₁	1411	1411
3	A₁	570	570
4	E	3258	3258
4	E	3257	3257
5	E	1546	1546
5	E	1546	1546
6	E	993	993
6	E	993	993

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.575
Br2	0.000	0.000	0.433
H3	0.000	1.040	-1.902
H4	0.901	-0.520	-1.902
H5	-0.901	-0.520	-1.902

	C1	Br2	H3	H4	H5
C1		2.0082	1.0899	1.0899	1.0899
Br2	2.0082		2.5557	2.5557	2.5557
H3	1.0899	2.5557		1.8012	1.8012
H4	1.0899	2.5557	1.8012		1.8012
H5	1.0899	2.5557	1.8012	1.8012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.425	Br2	C1	H4	107.424
Br2	C1	H5	107.424	H3	C1	H4	111.438
H3	C1	H5	111.438	H4	C1	H5	111.438

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

using model chemistry: ROMP2/6-31G

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	-0.632
2	Br	-0.041
3	H	0.224
4	H	0.224
5	H	0.224

<r²>	50.983
(<r²>)^1/2	7.140

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

using model chemistry: ROMP2/6-31G

States and conformations

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