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	hartrees
Energy at 0K	-116.920984
Energy at 298.15K	-116.925159
HF Energy	-116.481358
Nuclear repulsion energy	64.658995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3307	3106
2	A₁	3207	3011
3	A₁	3199	3004
4	A₁	1552	1458
5	A₁	1287	1208
6	A₁	1044	980
7	A₁	425	399
8	A₂	730	686
9	A₂	532	500
10	B₁	979	920
11	B₁	743	698
12	B₁	508	477
13	B₂	3306	3104
14	B₂	3198	3003
15	B₂	1542	1448
16	B₂	1442	1354
17	B₂	1204	1130
18	B₂	945	887

Atom	y (Å)	z (Å)
C1	0.000	0.453
H2	0.000	1.540
C3	1.232	-0.200
C4	-1.232	-0.200
H5	2.163	0.352
H6	-2.163	0.352
H7	1.289	-1.282
H8	-1.289	-1.282

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0871	1.3943	1.3943	2.1654	2.1654	2.1614	2.1614
H2	1.0871		2.1317	2.1317	2.4679	2.4679	3.1025	3.1025
C3	1.3943	2.1317		2.4645	1.0819	3.4398	1.0841	2.7438
C4	1.3943	2.1317	2.4645		3.4398	1.0819	2.7438	1.0841
H5	2.1654	2.4679	1.0819	3.4398		4.3262	1.8531	3.8193
H6	2.1654	2.4679	3.4398	1.0819	4.3262		3.8193	1.8531
H7	2.1614	3.1025	1.0841	2.7438	1.8531	3.8193		2.5780
H8	2.1614	3.1025	2.7438	1.0841	3.8193	1.8531	2.5780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.463	C1	C3	H7	120.897
C1	C4	H6	121.463	C1	C4	H8	120.897
H2	C1	C3	117.897	H2	C1	C4	117.897
C3	C1	C4	124.206	H5	C3	H7	117.640
H6	C4	H8	117.640

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31+G**

States and conformations

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