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	hartrees
Energy at 0K	-2612.304130
Energy at 298.15K
HF Energy	-2611.994482
Nuclear repulsion energy	88.879662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3103	2961	20.62
2	A₁	1379	1315	28.98
3	A₁	627	599	10.05
4	E	3209	3062	5.61
4	E	3209	3062	5.61
5	E	1495	1427	4.53
5	E	1495	1427	4.53
6	E	986	941	5.34
6	E	986	941	5.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.525
Br2	0.000	0.000	0.421
H3	0.000	1.034	-1.865
H4	0.896	-0.517	-1.865
H5	-0.896	-0.517	-1.865

	C1	Br2	H3	H4	H5
C1		1.9459	1.0892	1.0892	1.0892
Br2	1.9459		2.5098	2.5098	2.5098
H3	1.0892	2.5098		1.7918	1.7918
H4	1.0892	2.5098	1.7918		1.7918
H5	1.0892	2.5098	1.7918	1.7918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.234	Br2	C1	H4	108.234
Br2	C1	H5	108.234	H3	C1	H4	110.679
H3	C1	H5	110.679	H4	C1	H5	110.679

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

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

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