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	hartrees
Energy at 0K	-2612.501228
Energy at 298.15K
HF Energy	-2612.092252
Nuclear repulsion energy	89.748855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3121	3121
2	A₁	1351	1351
3	A₁	653	653
4	E	3238	3238
4	E	3237	3237
5	E	1495	1495
5	E	1494	1494
6	E	980	980
6	E	980	980

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.509
Br2	0.000	0.000	0.417
H3	0.000	1.029	-1.847
H4	0.891	-0.514	-1.847
H5	-0.891	-0.514	-1.847

	C1	Br2	H3	H4	H5
C1		1.9256	1.0827	1.0827	1.0827
Br2	1.9256		2.4862	2.4862	2.4862
H3	1.0827	2.4862		1.7817	1.7817
H4	1.0827	2.4862	1.7817		1.7817
H5	1.0827	2.4862	1.7817	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.180	Br2	C1	H4	108.180
Br2	C1	H5	108.180	H3	C1	H4	110.731
H3	C1	H5	110.731	H4	C1	H5	110.731

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

using model chemistry: ROMP2/cc-pVTZ

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	-0.197
2	Br	-0.165
3	H	0.121
4	H	0.121
5	H	0.121

<r²>	48.583
(<r²>)^1/2	6.970

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

using model chemistry: ROMP2/cc-pVTZ

States and conformations

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