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	hartrees
Energy at 0K	-537.530011
Energy at 298.15K	-537.533766
HF Energy	-537.530011
Nuclear repulsion energy	94.169776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3301	3301	5.98
2	A'	3262	3262	19.06
3	A'	1599	1599	0.38
4	A'	1564	1564	3.30
5	A'	1366	1366	32.97
6	A'	1145	1145	9.78
7	A'	710	710	124.45
8	A'	636	636	1.43
9	A'	333	333	13.97
10	A"	3415	3415	8.34
11	A"	3329	3329	3.11
12	A"	1353	1353	0.46
13	A"	1143	1143	0.67
14	A"	828	828	0.61
15	A"	230	230	2.78

Atom	x (Å)	y (Å)	z (Å)
C1	-1.482	0.814	0.000
C2	0.000	0.865	0.000
Cl3	0.712	-0.823	0.000
H4	-2.004	0.623	0.925
H5	-2.004	0.623	-0.925
H6	0.400	1.338	-0.889
H7	0.400	1.338	0.889

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4830	2.7375	1.0794	1.0794	2.1465	2.1465
C2	1.4830		1.8318	2.2207	2.2207	1.0835	1.0835
Cl3	2.7375	1.8318		3.2132	3.2132	2.3574	2.3574
H4	1.0794	2.2207	3.2132		1.8503	3.0956	2.5089
H5	1.0794	2.2207	3.2132	1.8503		2.5089	3.0956
H6	2.1465	1.0835	2.3574	3.0956	2.5089		1.7774
H7	2.1465	1.0835	2.3574	2.5089	3.0956	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.914	C1	C2	H6	112.583
C1	C2	H7	112.583	C2	C1	H4	119.309
C2	C1	H5	119.309	Cl3	C2	H6	105.011
Cl3	C2	H7	105.011	H4	C1	H5	117.983

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

using model chemistry: ROHF/aug-cc-pVDZ

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	0.546
2	C	-0.151
3	Cl	-0.171
4	H	-0.154
5	H	-0.154
6	H	0.042
7	H	0.042

	x	y	z	Total
	-1.042	1.913	0.000	2.178
CHELPG
AIM
ESP

<r²>	74.075
(<r²>)^1/2	8.607

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

using model chemistry: ROHF/aug-cc-pVDZ

States and conformations

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