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	hartrees
Energy at 0K	-498.983538
Energy at 298.15K
HF Energy	-498.522312
Nuclear repulsion energy	45.855351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3105	5.97
2	A₁	1449	1386	10.17
3	A₁	884	845	33.66
4	B₁	118	113	68.92
5	B₂	3403	3255	1.44
6	B₂	1019	974	0.06

Atom	y (Å)	z (Å)
C1	0.000	-1.104
Cl2	0.000	0.578
H3	0.946	-1.605
H4	-0.946	-1.605

	C1	Cl2	H3	H4
C1		1.6827	1.0699	1.0699
Cl2	1.6827		2.3792	2.3792
H3	1.0699	2.3792		1.8911
H4	1.0699	2.3792	1.8911

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.895		Br2	C1	H4	117.895
H3	C1	H4	124.210

All results from a given calculation for CH₂Cl (chloromethyl radical)

using model chemistry: MP2=FULL/aug-cc-pVQZ

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 CH2Cl (chloromethyl radical)

using model chemistry: MP2=FULL/aug-cc-pVQZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

All results from a given calculation for CH₂Cl (chloromethyl radical)