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	hartrees
Energy at 0K	-2612.440303
Energy at 298.15K
HF Energy	-2612.040172
Nuclear repulsion energy	88.793954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3124	2982	19.77
2	A₁	1385	1322	32.94
3	A₁	621	592	11.37
4	E	3236	3088	4.51
4	E	3236	3088	4.51
5	E	1500	1431	4.15
5	E	1500	1431	4.15
6	E	987	942	3.98
6	E	987	942	3.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.529
Br2	0.000	0.000	0.422
H3	0.000	1.032	-1.863
H4	0.893	-0.516	-1.863
H5	-0.893	-0.516	-1.863

	C1	Br2	H3	H4	H5
C1		1.9509	1.0844	1.0844	1.0844
Br2	1.9509		2.5074	2.5074	2.5074
H3	1.0844	2.5074		1.7867	1.7867
H4	1.0844	2.5074	1.7867		1.7867
H5	1.0844	2.5074	1.7867	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.962	Br2	C1	H4	107.962
Br2	C1	H5	107.962	H3	C1	H4	110.937
H3	C1	H5	110.937	H4	C1	H5	110.937

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

using model chemistry: CCSD/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: CCSD/TZVP

States and conformations

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