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	hartrees
Energy at 0K	-28.549531
Energy at 298.15K	-28.553140
HF Energy	-28.549531
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3187	10.72
2	A'	3165	3165	33.02
3	A'	1528	1528	1.47
4	A'	1477	1477	9.71
5	A'	1272	1272	13.21
6	A'	1124	1124	11.27
7	A'	722	722	125.07
8	A'	470	470	48.01
9	A'	293	293	14.98
10	A"	3310	3310	30.97
11	A"	3254	3254	5.58
12	A"	1260	1260	0.01
13	A"	1065	1065	0.99
14	A"	807	807	6.12
15	A"	279	279	1.14

Atom	x (Å)	y (Å)	z (Å)
C1	-1.480	0.881	0.000
C2	0.000	0.936	0.000
Cl3	0.709	-0.892	0.000
H4	-2.026	0.770	0.939
H5	-2.026	0.770	-0.939
H6	0.436	1.363	-0.907
H7	0.436	1.363	0.907

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4813	2.8180	1.0919	1.0919	2.1743	2.1743
C2	1.4813		1.9618	2.2393	2.2393	1.0933	1.0933
Cl3	2.8180	1.9618		3.3357	3.3357	2.4467	2.4467
H4	1.0919	2.2393	3.3357		1.8781	3.1341	2.5328
H5	1.0919	2.2393	3.3357	1.8781		2.5328	3.1341
H6	2.1743	1.0933	2.4467	3.1341	2.5328		1.8144
H7	2.1743	1.0933	2.4467	2.5328	3.1341	1.8144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	109.067	C1	C2	H6	114.401
C1	C2	H7	114.401	C2	C1	H4	120.218
C2	C1	H5	120.218	Cl3	C2	H6	102.691
Cl3	C2	H7	102.691	H4	C1	H5	118.646

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	-0.284
2	C	-0.370
3	Cl	-0.147
4	H	0.194
5	H	0.194
6	H	0.206
7	H	0.206

	x	y	z	Total
	-1.417	2.533	0.000	2.902
CHELPG
AIM
ESP

	x	y	z
x	5.035	-1.714	0.000
y	-1.714	5.510	0.000
z	0.000	0.000	2.823

<r²>	56.910
(<r²>)^1/2	7.544

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)