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	hartrees
Energy at 0K	-2609.783914
Energy at 298.15K
HF Energy	-2609.519684
Nuclear repulsion energy	88.960088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3168	3168
2	A₁	1397	1397
3	A₁	631	631
4	E	3295	3295
4	E	3295	3295
5	E	1524	1524
5	E	1524	1524
6	E	1007	1007
6	E	1007	1007

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.526
Br2	0.000	0.000	0.421
H3	0.000	1.031	-1.859
H4	0.893	-0.516	-1.859
H5	-0.893	-0.516	-1.859

	C1	Br2	H3	H4	H5
C1		1.9469	1.0838	1.0838	1.0838
Br2	1.9469		2.5027	2.5027	2.5027
H3	1.0838	2.5027		1.7860	1.7860
H4	1.0838	2.5027	1.7860		1.7860
H5	1.0838	2.5027	1.7860	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.922	Br2	C1	H4	107.922
Br2	C1	H5	107.922	H3	C1	H4	110.975
H3	C1	H5	110.975	H4	C1	H5	110.975

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

using model chemistry: ROMP2/6-31+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	-0.265
2	Br	-0.239
3	H	0.168
4	H	0.168
5	H	0.168

<r²>	49.225
(<r²>)^1/2	7.016

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

using model chemistry: ROMP2/6-31+G**

States and conformations

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