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	hartrees
Energy at 0K	-116.900066
Energy at 298.15K	-116.904274
HF Energy	-116.489112
Nuclear repulsion energy	64.625110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3250	3111	22.25
2	A₁	3157	3022	1.45
3	A₁	3148	3014	17.67
4	A₁	1537	1471	3.21
5	A₁	1283	1229	0.60
6	A₁	1041	997	0.14
7	A₁	431	413	0.04
8	A₂	740	708	0.00
9	A₂	546	523	0.00
10	B₁	981	940	30.69
11	B₁	753	721	83.42
12	B₁	526	503	17.84
13	B₂	3247	3108	6.86
14	B₂	3146	3012	10.53
15	B₂	1523	1458	0.84
16	B₂	1432	1371	6.21
17	B₂	1185	1134	0.00
18	B₂	946	906	0.10

Atom	y (Å)	z (Å)
C1	0.000	0.450
H2	0.000	1.541
C3	1.232	-0.199
C4	-1.232	-0.199
H5	2.166	0.356
H6	-2.166	0.356
H7	1.295	-1.285
H8	-1.295	-1.285

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0915	1.3922	1.3922	2.1677	2.1677	2.1650	2.1650
H2	1.0915		2.1320	2.1320	2.4688	2.4688	3.1090	3.1090
C3	1.3922	2.1320		2.4640	1.0860	3.4427	1.0882	2.7509
C4	1.3922	2.1320	2.4640		3.4427	1.0860	2.7509	1.0882
H5	2.1677	2.4688	1.0860	3.4427		4.3314	1.8576	3.8303
H6	2.1677	2.4688	3.4427	1.0860	4.3314		3.8303	1.8576
H7	2.1650	3.1090	1.0882	2.7509	1.8576	3.8303		2.5905
H8	2.1650	3.1090	2.7509	1.0882	3.8303	1.8576	2.5905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.529	C1	C3	H7	121.090
C1	C4	H6	121.529	C1	C4	H8	121.090
H2	C1	C3	117.758	H2	C1	C4	117.758
C3	C1	C4	124.484	H5	C3	H7	117.381
H6	C4	H8	117.381

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

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