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	hartrees
Energy at 0K	-2609.771259
Energy at 298.15K	-2609.777057
HF Energy	-2609.500239
Nuclear repulsion energy	88.343581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3125	2976	16.10
2	A₁	1383	1317	24.35
3	A₁	610	581	12.50
4	E	3238	3084	3.50
4	E	3238	3084	3.50
5	E	1526	1454	5.08
5	E	1526	1454	5.08
6	E	992	944	5.10
6	E	992	944	5.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.531
Br2	0.000	0.000	0.421
H3	0.000	1.042	-1.852
H4	0.902	-0.521	-1.852
H5	-0.902	-0.521	-1.852

	C1	Br2	H3	H4	H5
C1		1.9521	1.0900	1.0900	1.0900
Br2	1.9521		2.5008	2.5008	2.5008
H3	1.0900	2.5008		1.8040	1.8040
H4	1.0900	2.5008	1.8040		1.8040
H5	1.0900	2.5008	1.8040	1.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.154	Br2	C1	H4	107.154
Br2	C1	H5	107.154	H3	C1	H4	111.686
H3	C1	H5	111.686	H4	C1	H5	111.686

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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