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	hartrees
Energy at 0K	-537.652312
Energy at 298.15K	-537.655936
HF Energy	-537.447442
Nuclear repulsion energy	91.303361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3240	3128	19.62
2	A	3138	3029	16.86
3	A	3100	2992	23.47
4	A	3004	2900	19.03
5	A	1531	1478	5.95
6	A	1509	1457	12.51
7	A	1465	1414	9.20
8	A	1321	1276	45.21
9	A	1128	1089	3.18
10	A	1064	1027	5.10
11	A	1046	1010	18.95
12	A	667	644	28.82
13	A	533	515	36.62
14	A	325	314	2.20
15	A	194	187	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.504	0.638	-0.101
C2	1.700	-0.289	0.014
Cl3	-1.163	-0.129	0.008
H4	0.512	1.666	0.265
H5	1.612	-1.132	-0.691
H6	2.621	0.274	-0.217
H7	1.797	-0.710	1.035

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.5171	1.8373	1.0918	2.1696	2.1516	2.1865
C2	1.5171		2.8667	2.3011	1.1031	1.1040	1.1085
Cl3	1.8373	2.8667		2.4681	3.0319	3.8118	3.1866
H4	1.0918	2.3011	2.4681		3.1550	2.5729	2.8091
H5	2.1696	1.1031	3.0319	3.1550		1.7945	1.7869
H6	2.1516	1.1040	3.8118	2.5729	1.7945		1.7924
H7	2.1865	1.1085	3.1866	2.8091	1.7869	1.7924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.803	C1	C2	H6	109.328
C1	C2	H7	111.826	C2	C1	Cl3	117.111
C2	C1	H4	122.934	H5	C2	H6	108.785
H5	C2	H7	107.793	H6	C2	H7	108.220

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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