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	hartrees
Energy at 0K	-2609.795218
Energy at 298.15K
HF Energy	-2609.505755
Nuclear repulsion energy	88.626451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	2949	17.55
2	A₁	1392	1298	30.34
3	A₁	617	576	11.72
4	E	3282	3060	4.18
4	E	3282	3060	4.18
5	E	1537	1434	3.62
5	E	1537	1434	3.62
6	E	997	930	4.12
6	E	997	930	4.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.534
Br2	0.000	0.000	0.423
H3	0.000	1.032	-1.864
H4	0.894	-0.516	-1.864
H5	-0.894	-0.516	-1.864

	C1	Br2	H3	H4	H5
C1		1.9563	1.0837	1.0837	1.0837
Br2	1.9563		2.5091	2.5091	2.5091
H3	1.0837	2.5091		1.7875	1.7875
H4	1.0837	2.5091	1.7875		1.7875
H5	1.0837	2.5091	1.7875	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	107.771	Br2	C1	H4	107.771
Br2	C1	H5	107.771	H3	C1	H4	111.116
H3	C1	H5	111.116	H4	C1	H5	111.116

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

using model chemistry: CCSD/6-31G**

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/6-31G**

States and conformations

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