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	hartrees
Energy at 0K	-537.499716
Energy at 298.15K	-537.503430
HF Energy	-537.499716
Nuclear repulsion energy	94.333146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3332	2994	8.13
2	A'	3299	2964	23.67
3	A'	1644	1477	1.34
4	A'	1597	1435	0.87
5	A'	1410	1267	36.78
6	A'	1138	1023	8.68
7	A'	701	630	128.77
8	A'	611	549	2.00
9	A'	334	300	12.33
10	A"	3439	3090	11.92
11	A"	3362	3020	5.73
12	A"	1382	1241	0.11
13	A"	1173	1054	1.10
14	A"	841	756	0.87
15	A"	225	202	2.21

Atom	x (Å)	y (Å)	z (Å)
C1	-1.480	0.817	0.000
C2	0.000	0.857	0.000
Cl3	0.712	-0.825	0.000
H4	-2.009	0.659	0.921
H5	-2.009	0.659	-0.921
H6	0.399	1.333	-0.881
H7	0.399	1.333	0.881

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4804	2.7381	1.0739	1.0739	2.1384	2.1384
C2	1.4804		1.8269	2.2189	2.2189	1.0778	1.0778
Cl3	2.7381	1.8269		3.2328	3.2328	2.3517	2.3517
H4	1.0739	2.2189	3.2328		1.8424	3.0823	2.5007
H5	1.0739	2.2189	3.2328	1.8424		2.5007	3.0823
H6	2.1384	1.0778	2.3517	3.0823	2.5007		1.7624
H7	2.1384	1.0778	2.3517	2.5007	3.0823	1.7624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.341	C1	C2	H6	112.475
C1	C2	H7	112.475	C2	C1	H4	119.765
C2	C1	H5	119.765	Cl3	C2	H6	105.183
Cl3	C2	H7	105.183	H4	C1	H5	118.136

All results from a given calculation for CH₂CH₂Cl (2-chloroethyl radical)

using model chemistry: HF/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.315
2	C	-0.395
3	Cl	-0.126
4	H	0.194
5	H	0.194
6	H	0.225
7	H	0.225

	x	y	z	Total
	-1.123	2.036	0.000	2.325
CHELPG
AIM
ESP

	x	y	z
x	4.483	-0.904	0.000
y	-0.904	4.520	0.000
z	0.000	0.000	3.592

<r²>	73.902
(<r²>)^1/2	8.597

All results from a given calculation for CH2CH2Cl (2-chloroethyl radical)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for CH₂CH₂Cl (2-chloroethyl radical)