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	hartrees
Energy at 0K	-2584.366101
Energy at 298.15K
HF Energy	-2584.349028
Nuclear repulsion energy	80.104486

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	3427	3427	0.17	38.07	0.12	0.22
2	A₁	1563	1563	33.61	8.05	0.75	0.86
3	A₁	806	806	18.69	6.32	0.34	0.51
4	B₁	383i	383i	40.73	0.48	0.75	0.86
5	B₂	3617	3617	0.00	28.36	0.75	0.86
6	B₂	1005	1005	1.22	4.74	0.75	0.86

Atom	y (Å)	z (Å)
C1	0.000	-1.490
Br2	0.000	0.372
H3	0.950	-2.032
H4	-0.950	-2.032

	C1	Br2	H3	H4
C1		1.8620	1.0930	1.0930
Br2	1.8620		2.5841	2.5841
H3	1.0930	2.5841		1.8991
H4	1.0930	2.5841	1.8991

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	119.688		Br2	C1	H4	119.688
H3	C1	H4	120.624

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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=FULLultrafine/STO-3G

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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