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	hartrees
Energy at 0K
Energy at 298.15K	0.028106
HF Energy	0.028106
Nuclear repulsion energy	28.576497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2759	2931	38.97
2	A'	1286	1367	0.97
3	A'	859	913	107.61
4	A'	794	843	150.62
5	A"	2726	2896	107.31
6	A"	940	999	5.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	1.112	0.000
Cl2	0.005	-0.582	0.000
H3	-0.058	1.611	0.941
H4	-0.058	1.611	-0.941

	C1	Cl2	H3	H4
C1		1.6939	1.0669	1.0669
Cl2	1.6939		2.3870	2.3870
H3	1.0669	2.3870		1.8819
H4	1.0669	2.3870	1.8819

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.883		Br2	C1	H4	117.883
H3	C1	H4	123.757

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

using model chemistry: PM6

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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K
Energy at 298.15K	0.028105
HF Energy	0.028105
Nuclear repulsion energy	28.575864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2760	2932	37.02
2	A₁	1286	1366	0.28
3	A₁	859	912	106.93
4	B₁	793	843	163.32
5	B₂	2726	2896	107.48
6	B₂	940	999	7.68

Atom	y (Å)	z (Å)
C1	0.000	-1.096
Cl2	0.000	0.578
H3	0.931	-1.622
H4	-0.931	-1.622

	C1	Cl2	H3	H4
C1		1.6737	1.0691	1.0691
Cl2	1.6737		2.3881	2.3881
H3	1.0691	2.3881		1.8621
H4	1.0691	2.3881	1.8621

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

using model chemistry: PM6

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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