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	hartrees
Energy at 0K	-2609.849776
Energy at 298.15K
HF Energy	-2609.519607
Nuclear repulsion energy	88.580305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3139	3139
2	A₁	1386	1386
3	A₁	608	608
4	E	3259	3259
4	E	3259	3259
5	E	1514	1514
5	E	1514	1514
6	E	994	994
6	E	994	994

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.534
Br2	0.000	0.000	0.423
H3	0.000	1.033	-1.866
H4	0.894	-0.516	-1.866
H5	-0.894	-0.516	-1.866

	C1	Br2	H3	H4	H5
C1		1.9570	1.0846	1.0846	1.0846
Br2	1.9570		2.5112	2.5112	2.5112
H3	1.0846	2.5112		1.7885	1.7885
H4	1.0846	2.5112	1.7885		1.7885
H5	1.0846	2.5112	1.7885	1.7885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.824	Br2	C1	H4	107.824
Br2	C1	H5	107.824	H3	C1	H4	111.067
H3	C1	H5	111.067	H4	C1	H5	111.067

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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/6-31+G**

States and conformations

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