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	hartrees
Energy at 0K	-2611.689195
Energy at 298.15K
HF Energy	-2611.373284
Nuclear repulsion energy	80.076565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3172	3172
2	A₁	1393	1393
3	A₁	703	703
4	B₁	91i	91i
5	B₂	3329	3329
6	B₂	918	918

Atom	y (Å)	z (Å)
C1	0.000	-1.496
Br2	0.000	0.371
H3	0.963	-2.004
H4	-0.963	-2.004

	C1	Br2	H3	H4
C1		1.8670	1.0892	1.0892
Br2	1.8670		2.5633	2.5633
H3	1.0892	2.5633		1.9266
H4	1.0892	2.5633	1.9266

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.825		Br2	C1	H4	117.825
H3	C1	H4	124.351

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

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

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-pVDZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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