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	hartrees
Energy at 0K	-538.509434
Energy at 298.15K	-538.513050
HF Energy	-538.373389
Nuclear repulsion energy	93.712372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3053	4.12
2	A'	3149	2995	12.38
3	A'	1529	1454	0.27
4	A'	1495	1421	4.18
5	A'	1289	1226	23.58
6	A'	1109	1055	10.08
7	A'	687	653	103.25
8	A'	564	536	23.87
9	A'	308	293	14.11
10	A"	3324	3161	4.57
11	A"	3219	3061	2.37
12	A"	1279	1217	0.02
13	A"	1087	1034	1.05
14	A"	797	758	1.45
15	A"	225	214	1.69

Atom	x (Å)	y (Å)	z (Å)
C1	-1.465	0.834	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	1.339	-0.892
H7	0.412	1.339	0.892

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4659	2.7431	1.0810	1.0810	2.1392	2.1392
C2	1.4659		1.8579	2.2168	2.2168	1.0866	1.0866
Cl3	2.7431	1.8579		3.2606	3.2606	2.3767	2.3767
H4	1.0810	2.2168	3.2606		1.8551	3.0913	2.4997
H5	1.0810	2.2168	3.2606	1.8551		2.4997	3.0913
H6	2.1392	1.0866	2.3767	3.0913	2.4997		1.7830
H7	2.1392	1.0866	2.3767	2.4997	3.0913	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.686	C1	C2	H6	113.035
C1	C2	H7	113.035	C2	C1	H4	120.256
C2	C1	H5	120.256	Cl3	C2	H6	104.581
Cl3	C2	H7	104.581	H4	C1	H5	118.193

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

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

States and conformations

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