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	hartrees
Energy at 0K	-455.569999
Energy at 298.15K
HF Energy	-455.137309
Nuclear repulsion energy	66.644300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3103	3103	18.07
2	A₁	1355	1355	22.62
3	A₁	635	635	10.00
4	E	3210	3210	2.78
4	E	3210	3210	2.78
5	E	1496	1496	4.60
5	E	1496	1496	4.60
6	E	977	977	3.90
6	E	977	977	3.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.515
Br2	0.000	0.000	0.418
H3	0.000	1.030	-1.851
H4	0.892	-0.515	-1.851
H5	-0.892	-0.515	-1.851

	C1	Br2	H3	H4	H5
C1		1.9339	1.0837	1.0837	1.0837
Br2	1.9339		2.4928	2.4928	2.4928
H3	1.0837	2.4928		1.7846	1.7846
H4	1.0837	2.4928	1.7846		1.7846
H5	1.0837	2.4928	1.7846	1.7846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.062	Br2	C1	H4	108.062
Br2	C1	H5	108.062	H3	C1	H4	110.843
H3	C1	H5	110.843	H4	C1	H5	110.843

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

using model chemistry: QCISD/cc-pVTZ-PP

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/cc-pVTZ-PP

States and conformations

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