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	hartrees
Energy at 0K	-537.554145
Energy at 298.15K	-537.557900
HF Energy	-537.554145
Nuclear repulsion energy	94.751495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	2986	5.70
2	A'	3244	2947	18.31
3	A'	1622	1473	1.28
4	A'	1582	1437	2.55
5	A'	1392	1265	31.11
6	A'	1134	1030	9.48
7	A'	724	658	115.79
8	A'	642	583	2.19
9	A'	334	303	13.03
10	A"	3394	3083	7.95
11	A"	3301	2999	3.27
12	A"	1369	1244	0.47
13	A"	1157	1051	0.66
14	A"	834	758	0.60
15	A"	223	202	2.80

Atom	x (Å)	y (Å)	z (Å)
C1	-1.480	0.807	0.000
C2	0.000	0.853	0.000
Cl3	0.711	-0.815	0.000
H4	-1.999	0.616	0.918
H5	-1.999	0.616	-0.918
H6	0.394	1.332	-0.880
H7	0.394	1.332	0.880

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4805	2.7263	1.0718	1.0718	2.1355	2.1355
C2	1.4805		1.8139	2.2127	2.2127	1.0765	1.0765
Cl3	2.7263	1.8139		3.1998	3.1998	2.3422	2.3422
H4	1.0718	2.2127	3.1998		1.8355	3.0777	2.4983
H5	1.0718	2.2127	3.1998	1.8355		2.4983	3.0777
H6	2.1355	1.0765	2.3422	3.0777	2.4983		1.7604
H7	2.1355	1.0765	2.3422	2.4983	3.0777	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	111.301	C1	C2	H6	112.303
C1	C2	H7	112.303	C2	C1	H4	119.349
C2	C1	H5	119.349	Cl3	C2	H6	105.397
Cl3	C2	H7	105.397	H4	C1	H5	117.793

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

using model chemistry: ROHF/6-311+G(3df,2p)

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	-0.114
2	C	-0.288
3	Cl	-0.237
4	H	0.152
5	H	0.152
6	H	0.167
7	H	0.167

	x	y	z	Total
	-0.985	1.793	0.000	2.046
CHELPG
AIM
ESP

<r²>	73.424
(<r²>)^1/2	8.569

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

using model chemistry: ROHF/6-311+G(3df,2p)

States and conformations

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