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	hartrees
Energy at 0K	-535.956328
Energy at 298.15K
HF Energy	-535.853081
Nuclear repulsion energy	94.215843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3264	3264	5.44
2	A	3146	3146	8.83
3	A	3103	3103	11.30
4	A	3032	3032	12.85
5	A	1572	1572	4.40
6	A	1555	1555	10.50
7	A	1484	1484	7.72
8	A	1344	1344	37.70
9	A	1131	1131	4.11
10	A	1068	1068	6.92
11	A	1053	1053	19.25
12	A	710	710	31.09
13	A	380	380	21.03
14	A	319	319	24.23
15	A	151	151	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.452	0.608	-0.065
C2	1.659	-0.270	0.009
Cl3	-1.121	-0.129	0.005
H4	0.468	1.663	0.164
H5	1.593	-1.084	-0.720
H6	2.556	0.318	-0.202
H7	1.773	-0.725	1.003

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4946	1.7385	1.0792	2.1439	2.1281	2.1593
C2	1.4946		2.7830	2.2758	1.0944	1.0932	1.0994
Cl3	1.7385	2.7830		2.4000	2.9672	3.7094	3.1181
H4	1.0792	2.2758	2.4000		3.0975	2.5103	2.8473
H5	2.1439	1.0944	2.9672	3.0975		1.7781	1.7695
H6	2.1281	1.0932	3.7094	2.5103	1.7781		1.7755
H7	2.1593	1.0994	3.1181	2.8473	1.7695	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	110.861	C1	C2	H6	109.672
C1	C2	H7	111.797	C2	C1	Cl3	118.624
C2	C1	H4	123.508	H5	C2	H6	108.738
H5	C2	H7	107.529	H6	C2	H7	108.144

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

using model chemistry: B2PLYP=FULLultrafine/3-21G*

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: B2PLYP=FULLultrafine/3-21G*

States and conformations

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