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	hartrees
Energy at 0K	-2612.312471
Energy at 298.15K
HF Energy	-2612.000349
Nuclear repulsion energy	88.873193

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3137	2950	17.53
2	A₁	1353	1272	23.97
3	A₁	640	602	9.06
4	E	3255	3061	3.03
4	E	3255	3061	3.03
5	E	1485	1396	4.92
5	E	1485	1396	4.92
6	E	977	919	4.90
6	E	977	919	4.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.522
Br2	0.000	0.000	0.421
H3	0.000	1.041	-1.866
H4	0.902	-0.521	-1.866
H5	-0.902	-0.521	-1.866

	C1	Br2	H3	H4	H5
C1		1.9431	1.0965	1.0965	1.0965
Br2	1.9431		2.5124	2.5124	2.5124
H3	1.0965	2.5124		1.8036	1.8036
H4	1.0965	2.5124	1.8036		1.8036
H5	1.0965	2.5124	1.8036	1.8036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.247	Br2	C1	H4	108.247
Br2	C1	H5	108.247	H3	C1	H4	110.667
H3	C1	H5	110.667	H4	C1	H5	110.667

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

using model chemistry: MP3=FULL/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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All results from a given calculation for CH3Br (methyl bromide)

using model chemistry: MP3=FULL/cc-pVDZ

States and conformations

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