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	hartrees
Energy at 0K	-2611.954143
Energy at 298.15K
HF Energy	-2611.459053
Nuclear repulsion energy	81.251653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3231	3231
2	A₁	1387	1387
3	A₁	727	727
4	B₁	193	193
5	B₂	3322	3322
6	B₂	909	909

Atom	y (Å)	z (Å)
C1	0.000	-1.474
Br2	0.000	0.366
H3	0.944	-1.980
H4	-0.944	-1.980

	C1	Br2	H3	H4
C1		1.8399	1.0713	1.0713
Br2	1.8399		2.5291	2.5291
H3	1.0713	2.5291		1.8881
H4	1.0713	2.5291	1.8881

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	118.207		Br2	C1	H4	118.207
H3	C1	H4	123.586

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

using model chemistry: QCISD(T)=FULL/daug-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: QCISD(T)=FULL/daug-cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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