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	hartrees
Energy at 0K	-455.545780
Energy at 298.15K
HF Energy	-455.137270
Nuclear repulsion energy	66.920993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3119	3119	15.95	128.36	0.00	0.00
2	A₁	1350	1350	19.48	0.03	0.05	0.10
3	A₁	652	652	8.68	19.00	0.22	0.36
4	E	3236	3236	1.34	51.81	0.75	0.86
4	E	3236	3236	1.34	51.81	0.75	0.86
5	E	1494	1494	4.98	6.23	0.75	0.86
5	E	1494	1494	4.98	6.23	0.75	0.86
6	E	978	978	4.47	1.99	0.75	0.86
6	E	978	978	4.47	1.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.507
Br2	0.000	0.000	0.417
H3	0.000	1.029	-1.845
H4	0.891	-0.514	-1.845
H5	-0.891	-0.514	-1.845

	C1	Br2	H3	H4	H5
C1		1.9239	1.0828	1.0828	1.0828
Br2	1.9239		2.4843	2.4843	2.4843
H3	1.0828	2.4843		1.7822	1.7822
H4	1.0828	2.4843	1.7822		1.7822
H5	1.0828	2.4843	1.7822	1.7822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.148	Br2	C1	H4	108.148
Br2	C1	H5	108.148	H3	C1	H4	110.761
H3	C1	H5	110.761	H4	C1	H5	110.761

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

using model chemistry: MP2/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: MP2/cc-pVTZ-PP

States and conformations

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