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	hartrees
Energy at 0K	-538.509433
Energy at 298.15K
HF Energy	-538.373387
Nuclear repulsion energy	93.713725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3210	4.11
2	A'	3149	3149	12.37
3	A'	1529	1529	0.26
4	A'	1495	1495	4.19
5	A'	1289	1289	23.57
6	A'	1110	1110	10.08
7	A'	687	687	102.91
8	A'	563	563	24.23
9	A'	308	308	14.15
10	A"	3323	3323	4.57
11	A"	3219	3219	2.36
12	A"	1279	1279	0.02
13	A"	1088	1088	1.05
14	A"	797	797	1.45
15	A"	227	227	1.69

Atom	x (Å)	y (Å)	z (Å)
C1	-1.465	0.833	0.000
C2	0.000	0.875	0.000
Cl3	0.705	-0.844	0.000
H4	-2.007	0.711	0.928
H5	-2.007	0.711	-0.928
H6	0.412	1.340	-0.892
H7	0.412	1.340	0.892

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4659	2.7428	1.0810	1.0810	2.1392	2.1392
C2	1.4659		1.8579	2.2168	2.2168	1.0866	1.0866
Cl3	2.7428	1.8579		3.2603	3.2603	2.3768	2.3768
H4	1.0810	2.2168	3.2603		1.8551	3.0913	2.4997
H5	1.0810	2.2168	3.2603	1.8551		2.4997	3.0913
H6	2.1392	1.0866	2.3768	3.0913	2.4997		1.7830
H7	2.1392	1.0866	2.3768	2.4997	3.0913	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.666	C1	C2	H6	113.042
C1	C2	H7	113.042	C2	C1	H4	120.258
C2	C1	H5	120.258	Cl3	C2	H6	104.584
Cl3	C2	H7	104.584	H4	C1	H5	118.192

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

States and conformations

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