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	hartrees
Energy at 0K	-538.755466
Energy at 298.15K	-538.759034
HF Energy	-538.755466
Nuclear repulsion energy	92.977693

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3054	4.16
2	A'	3124	3000	13.25
3	A'	1528	1467	0.40
4	A'	1487	1428	2.96
5	A'	1259	1209	17.74
6	A'	1107	1063	9.73
7	A'	675	649	77.68
8	A'	506	486	44.83
9	A'	299	287	15.26
10	A"	3283	3153	7.34
11	A"	3188	3062	3.78
12	A"	1269	1218	0.10
13	A"	1069	1026	0.90
14	A"	791	760	2.03
15	A"	247	237	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	-1.460	0.860	0.000
C2	0.000	0.892	0.000
Cl3	0.701	-0.863	0.000
H4	-2.007	0.742	0.930
H5	-2.007	0.742	-0.930
H6	0.429	1.341	-0.895
H7	0.429	1.341	0.895

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4608	2.7641	1.0849	1.0849	2.1456	2.1456
C2	1.4608		1.8895	2.2169	2.2169	1.0899	1.0899
Cl3	2.7641	1.8895		3.2822	3.2822	2.3946	2.3946
H4	1.0849	2.2169	3.2822		1.8593	3.1023	2.5090
H5	1.0849	2.2169	3.2822	1.8593		2.5090	3.1023
H6	2.1456	1.0899	2.3946	3.1023	2.5090		1.7907
H7	2.1456	1.0899	2.3946	2.5090	3.1023	1.7907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.531	C1	C2	H6	113.741
C1	C2	H7	113.741	C2	C1	H4	120.402
C2	C1	H5	120.402	Cl3	C2	H6	103.709
Cl3	C2	H7	103.709	H4	C1	H5	117.946

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

using model chemistry: B3LYP/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	-0.256
2	C	-0.367
3	Cl	-0.127
4	H	0.171
5	H	0.171
6	H	0.204
7	H	0.204

	x	y	z	Total
	-1.143	2.072	0.000	2.366
CHELPG
AIM
ESP

	x	y	z
x	5.270	-1.294	0.000
y	-1.294	4.897	0.000
z	0.000	0.000	3.696

<r²>	75.295
(<r²>)^1/2	8.677

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

using model chemistry: B3LYP/6-31G*

States and conformations

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