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	hartrees
Energy at 0K	-2612.733105
Energy at 298.15K
HF Energy	-2612.098015
Nuclear repulsion energy	89.631565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3103	2996
2	A₁	1348	1302
3	A₁	641	619
4	E	3212	3102
4	E	3212	3102
5	E	1489	1438
5	E	1489	1438
6	E	979	945
6	E	979	945

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.512
Br2	0.000	0.000	0.417
H3	0.000	1.029	-1.846
H4	0.891	-0.514	-1.846
H5	-0.891	-0.514	-1.846

	C1	Br2	H3	H4	H5
C1		1.9297	1.0814	1.0814	1.0814
Br2	1.9297		2.4865	2.4865	2.4865
H3	1.0814	2.4865		1.7815	1.7815
H4	1.0814	2.4865	1.7815		1.7815
H5	1.0814	2.4865	1.7815	1.7815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.991	Br2	C1	H4	107.991
Br2	C1	H5	107.991	H3	C1	H4	110.910
H3	C1	H5	110.910	H4	C1	H5	110.910

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

using model chemistry: CCSD(T)=FULL/cc-pVQZ

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/cc-pVQZ

States and conformations

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