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	hartrees
Energy at 0K	-2612.600189
Energy at 298.15K
HF Energy	-2612.092356
Nuclear repulsion energy	89.386149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3107	2973
2	A₁	1347	1289
3	A₁	629	602
4	E	3195	3057
4	E	3195	3057
5	E	1494	1430
5	E	1494	1429
6	E	967	926
6	E	967	926

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.517
Br2	0.000	0.000	0.419
H3	0.000	1.028	-1.852
H4	0.891	-0.514	-1.852
H5	-0.891	-0.514	-1.852

	C1	Br2	H3	H4	H5
C1		1.9360	1.0815	1.0815	1.0815
Br2	1.9360		2.4930	2.4930	2.4930
H3	1.0815	2.4930		1.7810	1.7810
H4	1.0815	2.4930	1.7810		1.7810
H5	1.0815	2.4930	1.7810	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.051	Br2	C1	H4	108.051
Br2	C1	H5	108.051	H3	C1	H4	110.853
H3	C1	H5	110.853	H4	C1	H5	110.853

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

using model chemistry: QCISD(T)=FULL/cc-pVTZ

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(T)=FULL/cc-pVTZ

States and conformations

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