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	hartrees
Energy at 0K	-2613.667594
Energy at 298.15K
HF Energy	-2613.459022
Nuclear repulsion energy	88.713282

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	3112	3112	21.36	114.33	0.00	0.00
2	A₁	1378	1378	24.84	0.37	0.75	0.86
3	A₁	612	612	12.52	21.14	0.28	0.44
4	E	3221	3221	4.87	60.87	0.75	0.86
4	E	3221	3221	4.87	60.87	0.75	0.86
5	E	1511	1511	7.19	11.01	0.75	0.86
5	E	1511	1511	7.19	11.01	0.75	0.86
6	E	990	990	7.87	5.15	0.75	0.86
6	E	990	990	7.87	5.15	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.530
Br2	0.000	0.000	0.422
H3	0.000	1.031	-1.867
H4	0.893	-0.516	-1.867
H5	-0.893	-0.516	-1.867

	C1	Br2	H3	H4	H5
C1		1.9527	1.0847	1.0847	1.0847
Br2	1.9527		2.5105	2.5105	2.5105
H3	1.0847	2.5105		1.7861	1.7861
H4	1.0847	2.5105	1.7861		1.7861
H5	1.0847	2.5105	1.7861	1.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	H3	108.063	Br2	C1	H4	108.063
Br2	C1	H5	108.063	H3	C1	H4	110.842
H3	C1	H5	110.842	H4	C1	H5	110.842

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-311G*

States and conformations

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