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	hartrees
Energy at 0K	-538.802790
Energy at 298.15K	-538.806220
HF Energy	-538.802790
Nuclear repulsion energy	95.124952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3250	3110	5.83
2	A	3140	3005	10.36
3	A	3086	2953	12.50
4	A	3006	2877	19.45
5	A	1482	1418	3.26
6	A	1462	1399	11.32
7	A	1411	1350	9.32
8	A	1307	1251	40.59
9	A	1132	1083	5.60
10	A	1045	1000	23.95
11	A	999	956	0.62
12	A	743	711	31.31
13	A	372	356	18.08
14	A	307	294	22.35
15	A	149	143	1.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.449	0.595	-0.060
C2	1.641	-0.264	0.008
Cl3	-1.111	-0.128	0.005
H4	0.454	1.652	0.151
H5	1.594	-1.072	-0.724
H6	2.534	0.328	-0.189
H7	1.761	-0.730	0.993

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4715	1.7201	1.0776	2.1288	2.1066	2.1419
C2	1.4715		2.7554	2.2585	1.0909	1.0890	1.0966
Cl3	1.7201	2.7554		2.3742	2.9561	3.6784	3.0956
H4	1.0776	2.2585	2.3742		3.0798	2.4893	2.8443
H5	2.1288	1.0909	2.9561	3.0798		1.7689	1.7581
H6	2.1066	1.0890	3.6784	2.4893	1.7689		1.7649
H7	2.1419	1.0966	3.0956	2.8443	1.7581	1.7649

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

using model chemistry: B1B95/TZVP

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: B1B95/TZVP

States and conformations

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