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	hartrees
Energy at 0K	-117.133354
Energy at 298.15K	-117.137629
HF Energy	-117.000914
Nuclear repulsion energy	64.901246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3299	3138	17.00
2	A₁	3199	3042	0.17
3	A₁	3193	3036	17.33
4	A₁	1550	1474	2.65
5	A₁	1292	1229	0.90
6	A₁	1053	1002	0.06
7	A₁	432	411	0.08
8	A₂	788	749	0.00
9	A₂	561	533	0.00
10	B₁	1019	969	27.29
11	B₁	808	769	94.53
12	B₁	535	509	20.37
13	B₂	3297	3135	4.45
14	B₂	3192	3035	8.62
15	B₂	1535	1460	1.19
16	B₂	1440	1369	4.63
17	B₂	1203	1144	0.41
18	B₂	950	904	0.03

Atom	y (Å)	z (Å)
C1	0.000	0.446
H2	0.000	1.533
C3	1.228	-0.198
C4	-1.228	-0.198
H5	2.155	0.358
H6	-2.155	0.358
H7	1.290	-1.279
H8	-1.290	-1.279

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0866	1.3862	1.3862	2.1572	2.1572	2.1545	2.1545
H2	1.0866		2.1218	2.1218	2.4548	2.4548	3.0940	3.0940
C3	1.3862	2.1218		2.4552	1.0816	3.4284	1.0836	2.7399
C4	1.3862	2.1218	2.4552		3.4284	1.0816	2.7399	1.0836
H5	2.1572	2.4548	1.0816	3.4284		4.3108	1.8524	3.8146
H6	2.1572	2.4548	3.4284	1.0816	4.3108		3.8146	1.8524
H7	2.1545	3.0940	1.0836	2.7399	1.8524	3.8146		2.5796
H8	2.1545	3.0940	2.7399	1.0836	3.8146	1.8524	2.5796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.393	C1	C3	H7	120.972
C1	C4	H6	121.393	C1	C4	H8	120.972
H2	C1	C3	117.681	H2	C1	C4	117.681
C3	C1	C4	124.638	H5	C3	H7	117.636
H6	C4	H8	117.636

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

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

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