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	hartrees
Energy at 0K	-2611.679170
Energy at 298.15K
HF Energy	-2611.369692
Nuclear repulsion energy	81.022357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3252	2998	4.33
2	A₁	1444	1331	20.24
3	A₁	736	678	15.15
4	B₁	99i	91i	62.10
5	B₂	3405	3139	1.50
6	B₂	961	885	0.69

Atom	y (Å)	z (Å)
C1	0.000	-1.479
Br2	0.000	0.367
H3	0.945	-1.984
H4	-0.945	-1.984

	C1	Br2	H3	H4
C1		1.8461	1.0715	1.0715
Br2	1.8461		2.5335	2.5335
H3	1.0715	2.5335		1.8907
H4	1.0715	2.5335	1.8907

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.085		Br2	C1	H4	118.085
H3	C1	H4	123.831

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

using model chemistry: CISD/6-311+G(3df,2p)

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: CISD/6-311+G(3df,2p)

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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