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	hartrees
Energy at 0K	-538.722584
Energy at 298.15K	-538.726166
HF Energy	-538.722584
Nuclear repulsion energy	93.679646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3041	3.89
2	A'	3107	2992	13.91
3	A'	1493	1438	0.82
4	A'	1456	1402	6.07
5	A'	1254	1208	15.17
6	A'	1106	1065	9.43
7	A'	680	655	89.66
8	A'	545	525	32.36
9	A'	302	291	13.35
10	A"	3268	3147	4.92
11	A"	3172	3055	2.97
12	A"	1255	1208	0.00
13	A"	1063	1024	2.09
14	A"	783	755	2.91
15	A"	220	212	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	-1.459	0.841	0.000
C2	0.000	0.877	0.000
Cl3	0.701	-0.849	0.000
H4	-2.004	0.734	0.930
H5	-2.004	0.734	-0.930
H6	0.422	1.331	-0.894
H7	0.422	1.331	0.894

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4589	2.7425	1.0833	1.0833	2.1393	2.1393
C2	1.4589		1.8628	2.2138	2.2138	1.0883	1.0883
Cl3	2.7425	1.8628		3.2692	3.2692	2.3733	2.3733
H4	1.0833	2.2138	3.2692		1.8594	3.0935	2.4990
H5	1.0833	2.2138	3.2692	1.8594		2.4990	3.0935
H6	2.1393	1.0883	2.3733	3.0935	2.4990		1.7880
H7	2.1393	1.0883	2.3733	2.4990	3.0935	1.7880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.717	C1	C2	H6	113.451
C1	C2	H7	113.451	C2	C1	H4	120.386
C2	C1	H5	120.386	Cl3	C2	H6	103.962
Cl3	C2	H7	103.962	H4	C1	H5	118.241

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

using model chemistry: B3PW91/6-311G**

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	-0.194
2	C	-0.356
3	Cl	-0.132
4	H	0.148
5	H	0.148
6	H	0.193
7	H	0.193

	x	y	z	Total
	-1.115	2.007	0.000	2.296
CHELPG
AIM
ESP

	x	y	z
x	5.538	-1.399	0.000
y	-1.399	5.427	0.000
z	0.000	0.000	3.752

<r²>	74.673
(<r²>)^1/2	8.641

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

using model chemistry: B3PW91/6-311G**

States and conformations

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