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	hartrees
Energy at 0K	-116.902248
Energy at 298.15K	-116.906602
HF Energy	-116.482828
Nuclear repulsion energy	65.261541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3366	3366	11.65
2	A₁	3270	3270	0.75
3	A₁	3261	3261	11.70
4	A₁	1578	1578	2.54
5	A₁	1318	1318	0.72
6	A₁	1074	1074	0.01
7	A₁	436	436	0.15
8	A₂	819	819	0.00
9	A₂	589	589	0.00
10	B₁	1066	1066	15.43
11	B₁	841	841	68.63
12	B₁	562	562	11.49
13	B₂	3363	3363	3.13
14	B₂	3258	3258	6.18
15	B₂	1549	1549	0.12
16	B₂	1463	1463	5.68
17	B₂	1195	1195	0.49
18	B₂	963	963	0.06

Atom	y (Å)	z (Å)
C1	0.000	0.444
H2	0.000	1.526
C3	1.220	-0.196
C4	-1.220	-0.196
H5	2.146	0.354
H6	-2.146	0.354
H7	1.282	-1.273
H8	-1.282	-1.273

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0814	1.3780	1.3780	2.1475	2.1475	2.1429	2.1429
H2	1.0814		2.1104	2.1104	2.4448	2.4448	3.0782	3.0782
C3	1.3780	2.1104		2.4402	1.0765	3.4103	1.0785	2.7237
C4	1.3780	2.1104	2.4402		3.4103	1.0765	2.7237	1.0785
H5	2.1475	2.4448	1.0765	3.4103		4.2911	1.8418	3.7938
H6	2.1475	2.4448	3.4103	1.0765	4.2911		3.7938	1.8418
H7	2.1429	3.0782	1.0785	2.7237	1.8418	3.7938		2.5635
H8	2.1429	3.0782	2.7237	1.0785	3.7938	1.8418	2.5635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.584	C1	C3	H7	120.972
C1	C4	H6	121.584	C1	C4	H8	120.972
H2	C1	C3	117.697	H2	C1	C4	117.697
C3	C1	C4	124.607	H5	C3	H7	117.444
H6	C4	H8	117.444

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

using model chemistry: CISD/6-31G(2df,p)

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: CISD/6-31G(2df,p)

States and conformations

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