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	hartrees
Energy at 0K	-537.939123
Energy at 298.15K	-537.942748
HF Energy	-537.530868
Nuclear repulsion energy	94.588570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3267	3105	8.31
2	A	3201	3043	6.87
3	A	3156	2999	10.64
4	A	3062	2910	15.23
5	A	1483	1410	2.50
6	A	1468	1395	8.74
7	A	1410	1340	7.64
8	A	1316	1251	40.00
9	A	1144	1087	4.44
10	A	1051	999	19.38
11	A	1008	958	0.50
12	A	762	724	25.43
13	A	476	452	28.11
14	A	339	323	2.43
15	A	183	174	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.446	0.610	-0.090
C2	1.645	-0.269	0.012
Cl3	-1.111	-0.129	0.007
H4	0.462	1.655	0.226
H5	1.574	-1.114	-0.691
H6	2.554	0.308	-0.219
H7	1.757	-0.693	1.028

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4908	1.7266	1.0920	2.1463	2.1337	2.1604
C2	1.4908		2.7605	2.2692	1.1013	1.1008	1.1067
Cl3	1.7266	2.7605		2.3889	2.9446	3.6985	3.0967
H4	1.0920	2.2692	2.3889		3.1219	2.5278	2.7985
H5	2.1463	1.1013	2.9446	3.1219		1.7904	1.7796
H6	2.1337	1.1008	3.6985	2.5278	1.7904		1.7860
H7	2.1604	1.1067	3.0967	2.7985	1.7796	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.893	C1	C2	H6	109.926
C1	C2	H7	111.702	C2	C1	Cl3	117.998
C2	C1	H4	122.184	H5	C2	H6	108.789
H5	C2	H7	107.413	H6	C2	H7	108.009

All results from a given calculation for CHClCH₃ (1-chloroethyl radical)

using model chemistry: MP2=FULL/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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All results from a given calculation for CHClCH3 (1-chloroethyl radical)

using model chemistry: MP2=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CHClCH₃ (1-chloroethyl radical)