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	hartrees
Energy at 0K	-2612.590599
Energy at 298.15K
HF Energy	-2612.092900
Nuclear repulsion energy	90.245775

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	3147	3147	15.91	147.34	0.00	0.00
2	A₁	1351	1351	15.86	1.50	0.09	0.16
3	A₁	666	666	8.02	20.80	0.15	0.26
4	E	3233	3233	0.59	48.33	0.75	0.86
4	E	3233	3233	0.59	48.33	0.75	0.86
5	E	1509	1509	5.61	3.38	0.75	0.86
5	E	1509	1509	5.61	3.38	0.75	0.86
6	E	990	990	3.78	0.25	0.75	0.86
6	E	990	990	3.78	0.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.499
Br2	0.000	0.000	0.414
H3	0.000	1.026	-1.837
H4	0.888	-0.513	-1.837
H5	-0.888	-0.513	-1.837

	C1	Br2	H3	H4	H5
C1		1.9136	1.0799	1.0799	1.0799
Br2	1.9136		2.4740	2.4740	2.4740
H3	1.0799	2.4740		1.7766	1.7766
H4	1.0799	2.4740	1.7766		1.7766
H5	1.0799	2.4740	1.7766	1.7766

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.227	Br2	C1	H4	108.227
Br2	C1	H5	108.227	H3	C1	H4	110.686
H3	C1	H5	110.686	H4	C1	H5	110.686

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

using model chemistry: MP2=FULL/daug-cc-pVTZ

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=FULL/daug-cc-pVTZ

States and conformations

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