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	hartrees
Energy at 0K	-28.580681
Energy at 298.15K	-28.584284
HF Energy	-28.580681
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3187	10.17
2	A'	3152	3152	32.78
3	A'	1519	1519	1.25
4	A'	1465	1465	3.54
5	A'	1277	1277	25.45
6	A'	1102	1102	8.80
7	A'	670	670	147.54
8	A'	574	574	13.49
9	A'	295	295	16.01
10	A"	3293	3293	22.93
11	A"	3220	3220	9.72
12	A"	1256	1256	0.00
13	A"	1069	1069	1.18
14	A"	781	781	3.42
15	A"	249	249	1.87

Atom	x (Å)	y (Å)	z (Å)
C1	-1.488	0.812	0.000
C2	0.000	0.885	0.000
Cl3	0.716	-0.837	0.000
H4	-2.026	0.662	0.939
H5	-2.026	0.662	-0.939
H6	0.406	1.357	-0.901
H7	0.406	1.357	0.901

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4900	2.7527	1.0924	1.0924	2.1671	2.1671
C2	1.4900		1.8643	2.2440	2.2440	1.0951	1.0951
Cl3	2.7527	1.8643		3.2628	3.2628	2.3917	2.3917
H4	1.0924	2.2440	3.2628		1.8781	3.1275	2.5294
H5	1.0924	2.2440	3.2628	1.8781		2.5294	3.1275
H6	2.1671	1.0951	2.3917	3.1275	2.5294		1.8014
H7	2.1671	1.0951	2.3917	2.5294	3.1275	1.8014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.793	C1	C2	H6	113.033
C1	C2	H7	113.033	C2	C1	H4	119.881
C2	C1	H5	119.881	Cl3	C2	H6	104.832
Cl3	C2	H7	104.832	H4	C1	H5	118.552

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

using model chemistry: wB97X-D/CEP-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	-0.395
2	C	-0.215
3	Cl	-0.187
4	H	0.208
5	H	0.208
6	H	0.190
7	H	0.190

	x	y	z	Total
	-1.110	1.930	0.000	2.226
CHELPG
AIM
ESP

	x	y	z
x	5.195	-1.259	0.000
y	-1.259	5.168	0.000
z	0.000	0.000	3.334

<r²>	55.014
(<r²>)^1/2	7.417

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

using model chemistry: wB97X-D/CEP-31G*

States and conformations

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