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	hartrees
Energy at 0K	-116.953546
Energy at 298.15K	-116.957744
HF Energy	-116.498095
Nuclear repulsion energy	64.565316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3251	3251
2	A₁	3156	3156
3	A₁	3149	3149
4	A₁	1527	1527
5	A₁	1270	1270
6	A₁	1032	1032
7	A₁	425	425
8	A₂	736	736
9	A₂	551	551
10	B₁	982	982
11	B₁	738	738
12	B₁	519	519
13	B₂	3248	3248
14	B₂	3146	3146
15	B₂	1510	1510
16	B₂	1416	1416
17	B₂	1180	1180
18	B₂	936	936

Atom	y (Å)	z (Å)
C1	0.000	0.453
H2	0.000	1.545
C3	1.233	-0.200
C4	-1.233	-0.200
H5	2.167	0.354
H6	-2.167	0.354
H7	1.286	-1.287
H8	-1.286	-1.287

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0915	1.3948	1.3948	2.1697	2.1697	2.1639	2.1639
H2	1.0915		2.1359	2.1359	2.4730	2.4730	3.1101	3.1101
C3	1.3948	2.1359		2.4651	1.0865	3.4448	1.0888	2.7432
C4	1.3948	2.1359	2.4651		3.4448	1.0865	2.7432	1.0888
H5	2.1697	2.4730	1.0865	3.4448		4.3349	1.8629	3.8235
H6	2.1697	2.4730	3.4448	1.0865	4.3349		3.8235	1.8629
H7	2.1639	3.1101	1.0888	2.7432	1.8629	3.8235		2.5718
H8	2.1639	3.1101	2.7432	1.0888	3.8235	1.8629	2.5718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.460	C1	C3	H7	120.717
C1	C4	H6	121.460	C1	C4	H8	120.717
H2	C1	C3	117.908	H2	C1	C4	117.908
C3	C1	C4	124.183	H5	C3	H7	117.823
H6	C4	H8	117.823

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

using model chemistry: QCISD(T)/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(T)/6-311G**

States and conformations

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