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	hartrees
Energy at 0K	-2612.279745
Energy at 298.15K
HF Energy	-2612.000288
Nuclear repulsion energy	89.012254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3123	3123
2	A₁	1345	1345
3	A₁	646	646
4	E	3252	3252
4	E	3251	3251
5	E	1479	1479
5	E	1479	1479
6	E	977	977
6	E	977	977

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.519
Br2	0.000	0.000	0.420
H3	0.000	1.042	-1.863
H4	0.903	-0.521	-1.863
H5	-0.903	-0.521	-1.863

	C1	Br2	H3	H4	H5
C1		1.9389	1.0975	1.0975	1.0975
Br2	1.9389		2.5095	2.5095	2.5095
H3	1.0975	2.5095		1.8052	1.8052
H4	1.0975	2.5095	1.8052		1.8052
H5	1.0975	2.5095	1.8052	1.8052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.264	Br2	C1	H4	108.264
Br2	C1	H5	108.264	H3	C1	H4	110.651
H3	C1	H5	110.651	H4	C1	H5	110.651

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

using model chemistry: ROMP2/cc-pVDZ

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	-0.124
2	Br	-0.155
3	H	0.093
4	H	0.093
5	H	0.093

<r²>	49.015
(<r²>)^1/2	7.001

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

using model chemistry: ROMP2/cc-pVDZ

States and conformations

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