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	hartrees
Energy at 0K	-19.680472
Energy at 298.15K	-19.684716
HF Energy	-19.333403
Nuclear repulsion energy	35.986102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3328	3075	24.41
2	A₁	3234	2989	5.08
3	A₁	3221	2976	14.64
4	A₁	1571	1452	2.94
5	A₁	1303	1204	0.53
6	A₁	1056	976	0.10
7	A₁	437	403	0.06
8	A₂	741	685	0.00
9	A₂	565	522	0.00
10	B₁	1015	938	38.33
11	B₁	753	696	101.19
12	B₁	541	500	18.20
13	B₂	3325	3072	7.05
14	B₂	3215	2971	14.06
15	B₂	1543	1426	0.55
16	B₂	1443	1333	6.37
17	B₂	1150	1062	0.19
18	B₂	956	883	0.14

Atom	y (Å)	z (Å)
C1	0.000	0.451
H2	0.000	1.538
C3	1.231	-0.199
C4	-1.231	-0.199
H5	2.161	0.354
H6	-2.161	0.354
H7	1.292	-1.282
H8	-1.292	-1.282

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0868	1.3926	1.3926	2.1636	2.1636	2.1614	2.1614
H2	1.0868		2.1294	2.1294	2.4646	2.4646	3.1016	3.1016
C3	1.3926	2.1294		2.4625	1.0821	3.4375	1.0841	2.7454
C4	1.3926	2.1294	2.4625		3.4375	1.0821	2.7454	1.0841
H5	2.1636	2.4646	1.0821	3.4375		4.3228	1.8523	3.8209
H6	2.1636	2.4646	3.4375	1.0821	4.3228		3.8209	1.8523
H7	2.1614	3.1016	1.0841	2.7454	1.8523	3.8209		2.5834
H8	2.1614	3.1016	2.7454	1.0841	3.8209	1.8523	2.5834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.414	C1	C3	H7	121.047
C1	C4	H6	121.414	C1	C4	H8	121.047
H2	C1	C3	117.850	H2	C1	C4	117.850
C3	C1	C4	124.300	H5	C3	H7	117.539
H6	C4	H8	117.539

All results from a given calculation for C₃H₅ (Allyl radical)

using model chemistry: CID/CEP-121G*

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 C3H5 (Allyl radical)

using model chemistry: CID/CEP-121G*

States and conformations

All results from a given calculation for C₃H₅ (Allyl radical)