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	hartrees
Energy at 0K	-32.399347
Energy at 298.15K	-32.406275
HF Energy	-31.956880
Nuclear repulsion energy	81.178863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3095	3021	28.73
2	A	3077	3004	0.96
3	A	3055	2981	35.86
4	A	2962	2891	15.92
5	A	1534	1497	3.22
6	A	1503	1467	6.73
7	A	1453	1418	3.77
8	A	1431	1397	0.19
9	A	1168	1140	0.03
10	A	1113	1087	2.89
11	A	1088	1062	0.98
12	A	924	902	28.43
13	A	805	786	0.02
14	A	514	502	5.52
15	A	291	284	0.88
16	A	144	141	1.20
17	A	129	126	1.28
18	A	3097	3022	61.09
19	A	3077	3003	14.01
20	A	3055	2982	36.41
21	A	2961	2890	87.54
22	A	1959	1912	4.22
23	A	1529	1493	8.22
24	A	1502	1466	7.29
25	A	1450	1416	4.69
26	A	1341	1309	14.52
27	A	1117	1090	5.10
28	A	1087	1061	2.26
29	A	966	942	7.47
30	A	721	703	22.76
31	A	555	541	12.36
32	A	207	202	2.17
33	A	131	128	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.426
C2	0.000	1.345	0.426
C3	0.000	-1.345	0.426
C4	-0.900	2.214	-0.474
C5	0.900	-2.214	-0.474
H6	0.680	1.874	1.106
H7	-0.680	-1.874	1.106
H8	-1.547	2.867	0.138
H9	-0.290	2.859	-1.130
H10	-1.541	1.577	-1.105
H11	1.547	-2.867	0.138
H12	0.290	-2.859	-1.130
H13	1.541	-1.577	-1.105

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3449	1.3449	2.5539	2.5539	2.1062	2.1062	3.2707	3.2681	2.6843	3.2707	3.2681	2.6843
C2	1.3449		2.6897	1.5410	3.7795	1.0980	3.3594	2.1895	2.1903	2.1840	4.4963	4.4919	3.6406
C3	1.3449	2.6897		3.7795	1.5410	3.3594	1.0980	4.4963	4.4919	3.6406	2.1895	2.1903	2.1840
C4	2.5539	1.5410	3.7795		4.7800	2.2606	4.3879	1.1043	1.1043	1.1017	5.6728	5.2518	4.5529
C5	2.5539	3.7795	1.5410	4.7800		4.3879	2.2606	5.6728	5.2518	4.5529	1.1043	1.1043	1.1017
H6	2.1062	1.0980	3.3594	2.2606	4.3879		3.9869	2.6243	2.6294	3.1479	4.9157	5.2490	4.1876
H7	2.1062	3.3594	1.0980	4.3879	2.2606	3.9869		4.9157	5.2490	4.1876	2.6243	2.6294	3.1479
H8	3.2707	2.1895	4.4963	1.1043	5.6728	2.6243	4.9157		1.7859	1.7911	6.5158	6.1458	5.5526
H9	3.2681	2.1903	4.4919	1.1043	5.2518	2.6294	5.2490	1.7859		1.7912	6.1458	5.7472	4.7991
H10	2.6843	2.1840	3.6406	1.1017	4.5529	3.1479	4.1876	1.7911	1.7912		5.5526	4.7991	4.4098
H11	3.2707	4.4963	2.1895	5.6728	1.1043	4.9157	2.6243	6.5158	6.1458	5.5526		1.7859	1.7911
H12	3.2681	4.4919	2.1903	5.2518	1.1043	5.2490	2.6294	6.1458	5.7472	4.7991	1.7859		1.7912
H13	2.6843	3.6406	2.1840	4.5529	1.1017	4.1876	3.1479	5.5526	4.7991	4.4098	1.7911	1.7912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.350	C1	C2	H6	118.772
C1	C3	C5	124.350	C1	C3	H7	118.772
C2	C1	C3	179.942	C2	C4	H8	110.642
C2	C4	H9	110.703	C2	C4	H10	110.360
C3	C5	H11	110.642	C3	C5	H12	110.703
C3	C5	H13	110.360	C4	C2	H6	116.878
C5	C3	H7	116.878	H8	C4	H9	107.920
H8	C4	H10	108.566	H9	C4	H10	108.571
H11	C5	H12	107.920	H11	C5	H13	108.566
H12	C5	H13	108.571

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

using model chemistry: MP2/CEP-121G

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-121G

States and conformations

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