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	hartrees
Energy at 0K	-2612.290376
Energy at 298.15K
HF Energy	-2612.000324
Nuclear repulsion energy	89.129840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3129	2974	18.34
2	A₁	1347	1280	23.29
3	A₁	649	617	9.33
4	E	3258	3096	2.01
4	E	3258	3096	2.01
5	E	1481	1408	5.26
5	E	1481	1408	5.26
6	E	978	929	5.41
6	E	978	929	5.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.517
Br2	0.000	0.000	0.420
H3	0.000	1.041	-1.861
H4	0.901	-0.520	-1.861
H5	-0.901	-0.520	-1.861

	C1	Br2	H3	H4	H5
C1		1.9360	1.0965	1.0965	1.0965
Br2	1.9360		2.5071	2.5071	2.5071
H3	1.0965	2.5071		1.8030	1.8030
H4	1.0965	2.5071	1.8030		1.8030
H5	1.0965	2.5071	1.8030	1.8030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.323	Br2	C1	H4	108.323
Br2	C1	H5	108.323	H3	C1	H4	110.595
H3	C1	H5	110.595	H4	C1	H5	110.595

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

using model chemistry: MP2=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: MP2=FULL/cc-pVDZ

States and conformations

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