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	hartrees
Energy at 0K	-193.377556
Energy at 298.15K	-193.383849
HF Energy	-193.377556
Nuclear repulsion energy	146.546927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3276	3156	13.99
2	A₁	3184	3067	23.28
3	A₁	3180	3064	0.77
4	A₁	3164	3047	4.76
5	A₁	1612	1553	3.51
6	A₁	1491	1437	0.83
7	A₁	1343	1294	2.69
8	A₁	1287	1240	0.47
9	A₁	948	913	0.49
10	A₁	512	493	0.01
11	A₁	210	203	0.01
12	A₂	1000	963	0.00
13	A₂	882	850	0.00
14	A₂	593	571	0.00
15	A₂	257	247	0.00
16	B₁	1045	1007	61.47
17	B₁	901	868	106.00
18	B₁	850	819	24.75
19	B₁	636	612	14.51
20	B₁	160	154	1.79
21	B₂	3276	3156	3.92
22	B₂	3179	3062	5.29
23	B₂	3166	3050	0.30
24	B₂	1557	1500	5.41
25	B₂	1510	1455	6.97
26	B₂	1352	1303	0.38
27	B₂	1306	1258	0.81
28	B₂	1201	1157	0.03
29	B₂	1052	1013	5.74
30	B₂	472	455	2.80

Atom	y (Å)	z (Å)
C1	0.000	0.273
H2	0.000	1.362
C3	1.244	-0.395
C4	-1.244	-0.395
C5	2.456	0.228
C6	-2.456	0.228
H7	1.217	-1.484
H8	-1.217	-1.484
H9	2.530	1.312
H10	3.383	-0.332
H11	-2.530	1.312
H12	-3.383	-0.332

	C1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.0890	1.4118	1.4118	2.4562	2.4562	2.1372	2.1372	2.7355	3.4370	2.7355	3.4370
H2	1.0890		2.1525	2.1525	2.7048	2.7048	3.0953	3.0953	2.5310	3.7838	2.5310	3.7838
C3	1.4118	2.1525		2.4878	1.3627	3.7517	1.0898	2.6909	2.1373	2.1404	4.1423	4.6276
C4	1.4118	2.1525	2.4878		3.7517	1.3627	2.6909	1.0898	4.1423	4.6276	2.1373	2.1404
C5	2.4562	2.7048	1.3627	3.7517		4.9115	2.1138	4.0520	1.0862	1.0838	5.1026	5.8659
C6	2.4562	2.7048	3.7517	1.3627	4.9115		4.0520	2.1138	5.1026	5.8659	1.0862	1.0838
H7	2.1372	3.0953	1.0898	2.6909	2.1138	4.0520		2.4332	3.0894	2.4539	4.6754	4.7420
H8	2.1372	3.0953	2.6909	1.0898	4.0520	2.1138	2.4332		4.6754	4.7420	3.0894	2.4539
H9	2.7355	2.5310	2.1373	4.1423	1.0862	5.1026	3.0894	4.6754		1.8522	5.0610	6.1381
H10	3.4370	3.7838	2.1404	4.6276	1.0838	5.8659	2.4539	4.7420	1.8522		6.1381	6.7667
H11	2.7355	2.5310	4.1423	2.1373	5.1026	1.0862	4.6754	3.0894	5.0610	6.1381		1.8522
H12	3.4370	3.7838	4.6276	2.1404	5.8659	1.0838	4.7420	2.4539	6.1381	6.7667	1.8522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	124.564	C1	C3	H7	116.793
C1	C4	H6	124.564	C1	C4	H8	116.793
C2	C1	C3	118.227	C2	C1	C4	118.227
C3	C1	C4	123.546	C3	C5	H9	121.154
C3	C5	H10	121.644	C4	H6	H11	121.154
C4	H6	H12	121.644	C5	C3	H7	118.642
H6	C4	H8	118.642	H9	C5	H10	117.203
H11	H6	H12	117.203

All results from a given calculation for C₅H₇ (1,3-pentadienyl radical)

using model chemistry: HSEh1PBE/3-21G

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 C5H7 (1,3-pentadienyl radical)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₅H₇ (1,3-pentadienyl radical)