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	hartrees
Energy at 0K	-538.623389
Energy at 298.15K	-538.626996
HF Energy	-538.432471
Nuclear repulsion energy	94.030748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3055	3.00
2	A'	3126	2999	9.98
3	A'	1519	1457	0.51
4	A'	1483	1423	3.82
5	A'	1254	1203	12.39
6	A'	1104	1060	9.32
7	A'	680	652	76.93
8	A'	555	532	26.24
9	A'	304	291	13.09
10	A"	3286	3152	3.01
11	A"	3186	3056	1.18
12	A"	1272	1220	0.40
13	A"	1068	1024	0.63
14	A"	791	759	0.97
15	A"	224	215	1.07

Atom	x (Å)	y (Å)	z (Å)
C1	-1.457	0.826	0.000
C2	0.000	0.879	0.000
Cl3	0.700	-0.842	0.000
H4	-1.995	0.706	0.925
H5	-1.995	0.706	-0.925
H6	0.416	1.334	-0.890
H7	0.416	1.334	0.890

	C1	C2	Cl3	H4	H5	H6	H7
C1		1.4577	2.7262	1.0771	1.0771	2.1352	2.1352
C2	1.4577		1.8579	2.2060	2.2060	1.0827	1.0827
Cl3	2.7262	1.8579		3.2425	3.2425	2.3679	2.3679
H4	1.0771	2.2060	3.2425		1.8505	3.0830	2.4922
H5	1.0771	2.2060	3.2425	1.8505		2.4922	3.0830
H6	2.1352	1.0827	2.3679	3.0830	2.4922		1.7800
H7	2.1352	1.0827	2.3679	2.4922	3.0830	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl3	110.026	C1	C2	H6	113.561
C1	C2	H7	113.561	C2	C1	H4	120.231
C2	C1	H5	120.231	Cl3	C2	H6	104.135
Cl3	C2	H7	104.135	H4	C1	H5	118.404

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

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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