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	hartrees
Energy at 0K	-19.732790
Energy at 298.15K	-19.736972
HF Energy	-19.333065
Nuclear repulsion energy	35.856064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3251	3251
2	A₁	3151	3151
3	A₁	3142	3142
4	A₁	1538	1538
5	A₁	1285	1285
6	A₁	1042	1042
7	A₁	429	429
8	A₂	711	711
9	A₂	560	560
10	B₁	1000	1000
11	B₁	712	712
12	B₁	534	534
13	B₂	3249	3249
14	B₂	3139	3139
15	B₂	1504	1504
16	B₂	1405	1405
17	B₂	1122	1122
18	B₂	936	936

Atom	y (Å)	z (Å)
C1	0.000	0.453
H2	0.000	1.547
C3	1.234	-0.200
C4	-1.234	-0.200
H5	2.170	0.355
H6	-2.170	0.355
H7	1.292	-1.289
H8	-1.292	-1.289

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0939	1.3959	1.3959	2.1723	2.1723	2.1684	2.1684
H2	1.0939		2.1384	2.1384	2.4758	2.4758	3.1159	3.1159
C3	1.3959	2.1384		2.4679	1.0882	3.4490	1.0906	2.7504
C4	1.3959	2.1384	2.4679		3.4490	1.0882	2.7504	1.0906
H5	2.1723	2.4758	1.0882	3.4490		4.3403	1.8639	3.8323
H6	2.1723	2.4758	3.4490	1.0882	4.3403		3.8323	1.8639
H7	2.1684	3.1159	1.0906	2.7504	1.8639	3.8323		2.5833
H8	2.1684	3.1159	2.7504	1.0906	3.8323	1.8639	2.5833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.476	C1	C3	H7	120.907
C1	C4	H6	121.476	C1	C4	H8	120.907
H2	C1	C3	117.874	H2	C1	C4	117.874
C3	C1	C4	124.252	H5	C3	H7	117.617
H6	C4	H8	117.617

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

using model chemistry: MP4=FULL/CEP-121G*

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: MP4=FULL/CEP-121G*

States and conformations

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