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	hartrees
Energy at 0K	-116.858272
Energy at 298.15K	-116.862497
HF Energy	-116.467528
Nuclear repulsion energy	64.674793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	3121	21.07
2	A₁	3185	3033	0.94
3	A₁	3173	3022	18.17
4	A₁	1557	1483	2.00
5	A₁	1299	1237	0.54
6	A₁	1054	1004	0.05
7	A₁	432	411	0.06
8	A₂	755	719	0.00
9	A₂	554	528	0.00
10	B₁	996	948	22.26
11	B₁	769	732	75.69
12	B₁	533	508	12.35
13	B₂	3274	3118	7.07
14	B₂	3178	3026	10.09
15	B₂	1540	1467	0.19
16	B₂	1448	1379	4.13
17	B₂	1208	1151	0.02
18	B₂	954	909	0.05

Atom	y (Å)	z (Å)
C1	0.000	0.450
H2	0.000	1.542
C3	1.230	-0.198
C4	-1.230	-0.198
H5	2.166	0.354
H6	-2.166	0.354
H7	1.293	-1.285
H8	-1.293	-1.285

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0916	1.3905	1.3905	2.1680	2.1680	2.1637	2.1637
H2	1.0916		2.1308	2.1308	2.4702	2.4702	3.1082	3.1082
C3	1.3905	2.1308		2.4604	1.0864	3.4406	1.0884	2.7473
C4	1.3905	2.1308	2.4604		3.4406	1.0864	2.7473	1.0884
H5	2.1680	2.4702	1.0864	3.4406		4.3317	1.8566	3.8274
H6	2.1680	2.4702	3.4406	1.0864	4.3317		3.8274	1.8566
H7	2.1637	3.1082	1.0884	2.7473	1.8566	3.8274		2.5861
H8	2.1637	3.1082	2.7473	1.0884	3.8274	1.8566	2.5861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.675	C1	C3	H7	121.096
C1	C4	H6	121.675	C1	C4	H8	121.096
H2	C1	C3	117.785	H2	C1	C4	117.785
C3	C1	C4	124.430	H5	C3	H7	117.228
H6	C4	H8	117.228

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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