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	hartrees
Energy at 0K	-2612.528412
Energy at 298.15K
HF Energy	-2612.040121
Nuclear repulsion energy	88.596684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3103	2966
2	A₁	1374	1313
3	A₁	612	585
4	E	3217	3076
4	E	3217	3075
5	E	1487	1422
5	E	1487	1422
6	E	978	935
6	E	978	935

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.533
Br2	0.000	0.000	0.423
H3	0.000	1.033	-1.867
H4	0.894	-0.516	-1.867
H5	-0.894	-0.516	-1.867

	C1	Br2	H3	H4	H5
C1		1.9560	1.0853	1.0853	1.0853
Br2	1.9560		2.5118	2.5118	2.5118
H3	1.0853	2.5118		1.7887	1.7887
H4	1.0853	2.5118	1.7887		1.7887
H5	1.0853	2.5118	1.7887	1.7887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.905	Br2	C1	H4	107.905
Br2	C1	H5	107.905	H3	C1	H4	110.991
H3	C1	H5	110.991	H4	C1	H5	110.991

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

using model chemistry: CCSD(T)=FULL/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(T)=FULL/TZVP

States and conformations

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