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	hartrees
Energy at 0K	-2612.420692
Energy at 298.15K	-2612.426510
HF Energy	-2612.040199
Nuclear repulsion energy	89.125317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3140	2976	17.63
2	A₁	1383	1311	29.15
3	A₁	635	602	10.67
4	E	3262	3092	2.58
4	E	3262	3092	2.58
5	E	1497	1419	4.76
5	E	1497	1419	4.76
6	E	989	938	4.59
6	E	989	938	4.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.522
Br2	0.000	0.000	0.420
H3	0.000	1.030	-1.857
H4	0.892	-0.515	-1.857
H5	-0.892	-0.515	-1.857

	C1	Br2	H3	H4	H5
C1		1.9424	1.0833	1.0833	1.0833
Br2	1.9424		2.4993	2.4993	2.4993
H3	1.0833	2.4993		1.7846	1.7846
H4	1.0833	2.4993	1.7846		1.7846
H5	1.0833	2.4993	1.7846	1.7846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.993	Br2	C1	H4	107.993
Br2	C1	H5	107.993	H3	C1	H4	110.908
H3	C1	H5	110.908	H4	C1	H5	110.908

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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