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	hartrees
Energy at 0K	-531.151064
Energy at 298.15K	-531.154544
HF Energy	-531.151064
Nuclear repulsion energy	92.689374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3376	3024	12.61
2	A'	3324	2977	1.17
3	A'	1582	1417	1.86
4	A'	1537	1376	2.99
5	A'	1272	1139	0.41
6	A'	1177	1054	5.02
7	A'	681	610	45.82
8	A'	617	552	12.67
9	A'	291	261	11.49
10	A"	3549	3178	2.75
11	A"	3449	3088	2.11
12	A"	1302	1166	0.85
13	A"	1090	976	0.00
14	A"	809	725	3.85
15	A"	280	251	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	-1.464	0.847	0.000
C2	0.000	0.896	0.000
Cl3	0.703	-0.860	0.000
H4	-2.013	0.723	0.943
H5	-2.013	0.723	-0.943
H6	0.428	1.356	-0.910
H7	0.428	1.356	0.910

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4651	2.7586	1.0977	1.0977	2.1607	2.1607
C2	1.4651		1.8918	2.2294	2.2294	1.1058	1.1058
Cl3	2.7586	1.8918		3.2818	3.2818	2.4114	2.4114
H4	1.0977	2.2294	3.2818		1.8854	3.1291	2.5219
H5	1.0977	2.2294	3.2818	1.8854		2.5219	3.1291
H6	2.1607	1.1058	2.4114	3.1291	2.5219		1.8200
H7	2.1607	1.1058	2.4114	2.5219	3.1291	1.8200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.879	C1	C2	H6	113.642
C1	C2	H7	113.642	C2	C1	H4	120.216
C2	C1	H5	120.216	Cl3	C2	H6	104.013
Cl3	C2	H7	104.013	H4	C1	H5	118.365

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

using model chemistry: LSDA/STO-3G

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	-0.143
2	C	-0.155
3	Cl	-0.177
4	H	0.107
5	H	0.107
6	H	0.131
7	H	0.131

	x	y	z	Total
	-1.150	2.068	0.000	2.366
CHELPG
AIM
ESP

	x	y	z
x	2.894	-1.081	0.000
y	-1.081	2.668	0.000
z	0.000	0.000	1.618

<r²>	74.186
(<r²>)^1/2	8.613

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

using model chemistry: LSDA/STO-3G

States and conformations

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