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	hartrees
Energy at 0K
Energy at 298.15K	0.028258
HF Energy	0.028258
Nuclear repulsion energy	31.056638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3138	3057	3.35	82.71	0.15	0.26
2	A'	1294	1260	26.01	13.81	0.74	0.85
3	A'	804	783	77.34	0.32	0.69	0.81
4	A'	615	599	157.14	0.03	0.75	0.86
5	A"	3185	3102	13.23	49.82	0.75	0.86
6	A"	962	937	0.25	12.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	1.059	0.000
Cl2	-0.000	-0.564	0.000
H3	0.002	1.619	0.928
H4	0.002	1.619	-0.928

	C1	Cl2	H3	H4
C1		1.6236	1.0835	1.0835
Cl2	1.6236		2.3722	2.3722
H3	1.0835	2.3722		1.8556
H4	1.0835	2.3722	1.8556

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	121.099		Br2	C1	H4	121.099
H3	C1	H4	117.802

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

using model chemistry: PM3

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	0.028257
HF Energy	0.028257
Nuclear repulsion energy	31.056550

Atom	y (Å)	z (Å)
C1	0.000	-1.059
Cl2	0.000	0.564
H3	0.928	-1.619
H4	-0.928	-1.619

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

using model chemistry: PM3

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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