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	hartrees
Energy at 0K	-2611.676524
Energy at 298.15K
HF Energy	-2611.373251
Nuclear repulsion energy	79.992903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3167	3167
2	A₁	1391	1391
3	A₁	701	701
4	B₁	111i	111i
5	B₂	3324	3324
6	B₂	920	920

Atom	y (Å)	z (Å)
C1	0.000	-1.498
Br2	0.000	0.371
H3	0.965	-2.006
H4	-0.965	-2.006

	C1	Br2	H3	H4
C1		1.8691	1.0901	1.0901
Br2	1.8691		2.5653	2.5653
H3	1.0901	2.5653		1.9292
H4	1.0901	2.5653	1.9292

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.771		Br2	C1	H4	117.771
H3	C1	H4	124.459

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

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

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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