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	hartrees
Energy at 0K	-32.337084
Energy at 298.15K	-32.343890
HF Energy	-31.935557
Nuclear repulsion energy	80.366364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3146	3040	35.05
2	A	3132	3027	1.73
3	A	3116	3011	50.69
4	A	3026	2924	17.77
5	A	1530	1479	3.52
6	A	1508	1457	9.11
7	A	1454	1405	3.20
8	A	1437	1388	0.03
9	A	1173	1133	0.01
10	A	1115	1078	2.96
11	A	1086	1049	0.08
12	A	913	882	39.16
13	A	811	784	0.02
14	A	483	466	4.18
15	A	281	271	1.33
16	A	150	145	0.21
17	A	125	121	2.67
18	A	3148	3042	93.17
19	A	3132	3026	2.57
20	A	3116	3011	52.66
21	A	3025	2923	97.71
22	A	1979	1913	3.51
23	A	1523	1472	9.81
24	A	1507	1456	8.87
25	A	1451	1402	4.01
26	A	1339	1294	13.68
27	A	1117	1080	8.30
28	A	1083	1046	0.91
29	A	971	938	9.85
30	A	711	687	37.33
31	A	523	505	9.13
32	A	193	186	1.77
33	A	136	132	1.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.427
C2	0.000	1.368	0.429
C3	0.000	-1.368	0.429
C4	-0.911	2.235	-0.477
C5	0.911	-2.235	-0.477
H6	0.685	1.897	1.116
H7	-0.685	-1.897	1.116
H8	-1.572	2.883	0.139
H9	-0.299	2.898	-1.128
H10	-1.546	1.595	-1.122
H11	1.572	-2.883	0.139
H12	0.299	-2.898	-1.128
H13	1.546	-1.595	-1.122

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3680	1.3680	2.5776	2.5776	2.1316	2.1316	3.2967	3.3026	2.7084	3.2967	3.3026	2.7084
C2	1.3680		2.7361	1.5502	3.8256	1.1054	3.4063	2.2027	2.2037	2.2019	4.5420	4.5512	3.6849
C3	1.3680	2.7361		3.8256	1.5502	3.4063	1.1054	4.5420	4.5512	3.6849	2.2027	2.2037	2.2019
C4	2.5776	1.5502	3.8256		4.8277	2.2806	4.4347	1.1122	1.1123	1.1087	5.7224	5.3141	4.5966
C5	2.5776	3.8256	1.5502	4.8277		4.4347	2.2806	5.7224	5.3141	4.5966	1.1122	1.1123	1.1087
H6	2.1316	1.1054	3.4063	2.2806	4.4347		4.0343	2.6504	2.6476	3.1750	4.9591	5.3084	4.2364
H7	2.1316	3.4063	1.1054	4.4347	2.2806	4.0343		4.9591	5.3084	4.2364	2.6504	2.6476	3.1750
H8	3.2967	2.2027	4.5420	1.1122	5.7224	2.6504	4.9591		1.7966	1.8027	6.5682	6.2074	5.6013
H9	3.3026	2.2037	4.5512	1.1123	5.3141	2.6476	5.3084	1.7966		1.8032	6.2074	5.8266	4.8575
H10	2.7084	2.2019	3.6849	1.1087	4.5966	3.1750	4.2364	1.8027	1.8032		5.6013	4.8575	4.4435
H11	3.2967	4.5420	2.2027	5.7224	1.1122	4.9591	2.6504	6.5682	6.2074	5.6013		1.7966	1.8027
H12	3.3026	4.5512	2.2037	5.3141	1.1123	5.3084	2.6476	6.2074	5.8266	4.8575	1.7966		1.8032
H13	2.7084	3.6849	2.2019	4.5966	1.1087	4.2364	3.1750	5.6013	4.8575	4.4435	1.8027	1.8032

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.962	C1	C2	H6	118.658
C1	C3	C5	123.962	C1	C3	H7	118.658
C2	C1	C3	179.825	C2	C4	H8	110.577
C2	C4	H9	110.644	C2	C4	H10	110.717
C3	C5	H11	110.577	C3	C5	H12	110.644
C3	C5	H13	110.717	C4	C2	H6	117.381
C5	C3	H7	117.381	H8	C4	H9	107.733
H8	C4	H10	108.522	H9	C4	H10	108.558
H11	C5	H12	107.733	H11	C5	H13	108.522
H12	C5	H13	108.558

All results from a given calculation for C₅H₈ (2,3-Pentadiene)

using model chemistry: MP2/CEP-31G

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 C5H8 (2,3-Pentadiene)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for C₅H₈ (2,3-Pentadiene)