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	hartrees
Energy at 0K	-116.708719
Energy at 298.15K	-116.712942
HF Energy	-116.427892
Nuclear repulsion energy	64.105143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	3222	31.32
2	A₁	3127	3127	1.67
3	A₁	3112	3112	21.85
4	A₁	1552	1552	1.75
5	A₁	1289	1289	0.26
6	A₁	1043	1043	0.10
7	A₁	436	436	0.01
8	A₂	760	760	0.00
9	A₂	540	540	0.00
10	B₁	979	979	24.79
11	B₁	772	772	83.48
12	B₁	523	523	11.28
13	B₂	3217	3217	10.43
14	B₂	3121	3121	13.20
15	B₂	1530	1530	0.74
16	B₂	1457	1457	3.23
17	B₂	1202	1202	0.05
18	B₂	961	961	0.09

Atom	y (Å)	z (Å)
C1	0.000	0.452
H2	0.000	1.549
C3	1.245	-0.199
C4	-1.245	-0.199
H5	2.184	0.356
H6	-2.184	0.356
H7	1.315	-1.291
H8	-1.315	-1.291

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0969	1.4047	1.4047	2.1861	2.1861	2.1835	2.1835
H2	1.0969		2.1459	2.1459	2.4885	2.4885	3.1296	3.1296
C3	1.4047	2.1459		2.4891	1.0914	3.4733	1.0940	2.7828
C4	1.4047	2.1459	2.4891		3.4733	1.0914	2.7828	1.0940
H5	2.1861	2.4885	1.0914	3.4733		4.3680	1.8624	3.8675
H6	2.1861	2.4885	3.4733	1.0914	4.3680		3.8675	1.8624
H7	2.1835	3.1296	1.0940	2.7828	1.8624	3.8675		2.6303
H8	2.1835	3.1296	2.7828	1.0940	3.8675	1.8624	2.6303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.782	C1	C3	H7	121.320
C1	C4	H6	121.782	C1	C4	H8	121.320
H2	C1	C3	117.622	H2	C1	C4	117.622
C3	C1	C4	124.756	H5	C3	H7	116.898
H6	C4	H8	116.898

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

using model chemistry: CCSD=FULL/6-31G

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: CCSD=FULL/6-31G

States and conformations

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