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	hartrees
Energy at 0K	-2612.330203
Energy at 298.15K
HF Energy	-2612.005123
Nuclear repulsion energy	88.452340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	2991	19.54
2	A₁	1331	1289	23.49
3	A₁	617	598	11.44
4	E	3202	3101	2.96
4	E	3202	3101	2.96
5	E	1464	1418	4.04
5	E	1464	1418	4.04
6	E	969	939	3.12
6	E	969	939	3.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.532
Br2	0.000	0.000	0.423
H3	0.000	1.045	-1.869
H4	0.905	-0.522	-1.869
H5	-0.905	-0.522	-1.869

	C1	Br2	H3	H4	H5
C1		1.9553	1.0974	1.0974	1.0974
Br2	1.9553		2.5184	2.5184	2.5184
H3	1.0974	2.5184		1.8094	1.8094
H4	1.0974	2.5184	1.8094		1.8094
H5	1.0974	2.5184	1.8094	1.8094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.840	Br2	C1	H4	107.840
Br2	C1	H5	107.840	H3	C1	H4	111.052
H3	C1	H5	111.052	H4	C1	H5	111.052

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

using model chemistry: QCISD/aug-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: QCISD/aug-cc-pVDZ

States and conformations

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