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	hartrees
Energy at 0K	-116.862039
Energy at 298.15K	-116.866387
HF Energy	-116.483063
Nuclear repulsion energy	64.708471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3344	3344	13.81
2	A₁	3251	3251	3.40
3	A₁	3238	3238	9.68
4	A₁	1564	1564	2.44
5	A₁	1306	1306	1.21
6	A₁	1063	1063	0.00
7	A₁	436	436	0.26
8	A₂	825	825	0.00
9	A₂	577	577	0.00
10	B₁	1040	1040	24.76
11	B₁	847	847	76.73
12	B₁	553	553	16.31
13	B₂	3341	3341	4.22
14	B₂	3232	3232	9.02
15	B₂	1541	1541	0.23
16	B₂	1449	1449	5.52
17	B₂	1179	1179	0.17
18	B₂	952	952	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.449
H2	0.000	1.540
C3	1.230	-0.199
C4	-1.230	-0.199
H5	2.162	0.359
H6	-2.162	0.359
H7	1.290	-1.286
H8	-1.290	-1.286

	C1	H2	C3	C4	H5	H6	H7	H8
C1		1.0913	1.3897	1.3897	2.1638	2.1638	2.1618	2.1618
H2	1.0913		2.1298	2.1298	2.4635	2.4635	3.1065	3.1065
C3	1.3897	2.1298		2.4590	1.0867	3.4371	1.0886	2.7441
C4	1.3897	2.1298	2.4590		3.4371	1.0867	2.7441	1.0886
H5	2.1638	2.4635	1.0867	3.4371		4.3240	1.8617	3.8239
H6	2.1638	2.4635	3.4371	1.0867	4.3240		3.8239	1.8617
H7	2.1618	3.1065	1.0886	2.7441	1.8617	3.8239		2.5802
H8	2.1618	3.1065	2.7441	1.0886	3.8239	1.8617	2.5802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H5	121.325	C1	C3	H7	120.968
C1	C4	H6	121.325	C1	C4	H8	120.968
H2	C1	C3	117.780	H2	C1	C4	117.780
C3	C1	C4	124.441	H5	C3	H7	117.707
H6	C4	H8	117.707

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

using model chemistry: CID/aug-cc-pVDZ

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: CID/aug-cc-pVDZ

States and conformations

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