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	hartrees
Energy at 0K	-2611.866921
Energy at 298.15K
HF Energy	-2611.458962
Nuclear repulsion energy	81.015178

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3202	3061	4.79
2	A₁	1406	1344	19.06
3	A₁	726	693	14.27
4	B₁	60i	57i	61.13
5	B₂	3351	3203	1.00
6	B₂	935	893	0.60

Atom	y (Å)	z (Å)
C1	0.000	-1.479
Br2	0.000	0.367
H3	0.949	-1.983
H4	-0.949	-1.983

	C1	Br2	H3	H4
C1		1.8455	1.0751	1.0751
Br2	1.8455		2.5347	2.5347
H3	1.0751	2.5347		1.8985
H4	1.0751	2.5347	1.8985

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.003		Br2	C1	H4	118.003
H3	C1	H4	123.994

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

using model chemistry: CCSD/aug-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: CCSD/aug-cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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