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	hartrees
Energy at 0K	-2613.038835
Energy at 298.15K
HF Energy	-2612.898548
Nuclear repulsion energy	80.948575

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	3208	3066	5.10	116.96	0.11	0.19
2	A₁	1406	1344	18.66	0.68	0.56	0.72
3	A₁	716	684	17.21	9.16	0.18	0.31
4	B₁	146	140	67.87	0.06	0.75	0.86
5	B₂	3357	3209	0.73	54.07	0.75	0.86
6	B₂	941	899	1.09	2.25	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.481
Br2	0.000	0.367
H3	0.948	-1.981
H4	-0.948	-1.981

	C1	Br2	H3	H4
C1		1.8483	1.0722	1.0722
Br2	1.8483		2.5328	2.5328
H3	1.0722	2.5328		1.8968
H4	1.0722	2.5328	1.8968

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.809		Br2	C1	H4	117.809
H3	C1	H4	124.382

All results from a given calculation for CH₂Br (bromomethyl radical)

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

	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 CH2Br (bromomethyl radical)

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

All results from a given calculation for CH₂Br (bromomethyl radical)