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	hartrees
Energy at 0K	-32.616680
Energy at 298.15K	-32.623588
HF Energy	-32.017725
Nuclear repulsion energy	81.465870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3198	3037	14.50
2	A	3184	3023	3.26
3	A	3167	3007	29.36
4	A	3081	2925	11.75
5	A	1532	1454	4.01
6	A	1508	1432	8.45
7	A	1460	1387	0.48
8	A	1430	1358	1.48
9	A	1169	1110	0.08
10	A	1110	1053	2.04
11	A	1074	1020	0.07
12	A	896	851	36.86
13	A	834	792	0.11
14	A	509	484	4.25
15	A	279	265	1.39
16	A	167	159	0.15
17	A	132	125	2.38
18	A	3199	3037	46.15
19	A	3184	3023	1.34
20	A	3167	3007	30.42
21	A	3081	2925	71.04
22	A	2047	1943	4.63
23	A	1517	1440	10.18
24	A	1507	1431	8.20
25	A	1439	1366	4.57
26	A	1315	1248	19.55
27	A	1127	1070	4.52
28	A	1071	1017	1.00
29	A	978	929	13.72
30	A	699	664	35.30
31	A	548	520	9.59
32	A	214	203	1.12
33	A	147	140	1.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.435
C2	0.000	1.349	0.428
C3	0.000	-1.349	0.428
C4	-0.907	2.179	-0.477
C5	0.907	-2.179	-0.477
H6	0.680	1.879	1.108
H7	-0.680	-1.879	1.108
H8	-1.569	2.826	0.127
H9	-0.305	2.835	-1.133
H10	-1.531	1.526	-1.108
H11	1.569	-2.826	0.127
H12	0.305	-2.835	-1.133
H13	1.531	-1.526	-1.108

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3487	1.3487	2.5302	2.5302	2.1089	2.1089	3.2469	3.2542	2.6560	3.2469	3.2542	2.6560
C2	1.3487		2.6973	1.5268	3.7530	1.0986	3.3682	2.1760	2.1769	2.1762	4.4697	4.4761	3.6012
C3	1.3487	2.6973		3.7530	1.5268	3.3682	1.0986	4.4697	4.4761	3.6012	2.1760	2.1769	2.1762
C4	2.5302	1.5268	3.7530		4.7200	2.2633	4.3626	1.1056	1.1057	1.1018	5.6162	5.2001	4.4797
C5	2.5302	3.7530	1.5268	4.7200		4.3626	2.2633	5.6162	5.2001	4.4797	1.1056	1.1057	1.1018
H6	2.1089	1.0986	3.3682	2.2633	4.3626		3.9972	2.6306	2.6279	3.1508	4.8876	5.2335	4.1511
H7	2.1089	3.3682	1.0986	4.3626	2.2633	3.9972		4.8876	5.2335	4.1511	2.6306	2.6279	3.1508
H8	3.2469	2.1760	4.4697	1.1056	5.6162	2.6306	4.8876		1.7846	1.7933	6.4644	6.0949	5.4841
H9	3.2542	2.1769	4.4761	1.1057	5.2001	2.6279	5.2335	1.7846		1.7940	6.0949	5.7037	4.7323
H10	2.6560	2.1762	3.6012	1.1018	4.4797	3.1508	4.1511	1.7933	1.7940		5.4841	4.7323	4.3235
H11	3.2469	4.4697	2.1760	5.6162	1.1056	4.8876	2.6306	6.4644	6.0949	5.4841		1.7846	1.7933
H12	3.2542	4.4761	2.1769	5.2001	1.1057	5.2335	2.6279	6.0949	5.7037	4.7323	1.7846		1.7940
H13	2.6560	3.6012	2.1762	4.4797	1.1018	4.1511	3.1508	5.4841	4.7323	4.3235	1.7933	1.7940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	123.146	C1	C2	H6	118.670
C1	C3	C5	123.146	C1	C3	H7	118.670
C2	C1	C3	179.418	C2	C4	H8	110.489
C2	C4	H9	110.550	C2	C4	H10	110.727
C3	C5	H11	110.489	C3	C5	H12	110.550
C3	C5	H13	110.727	C4	C2	H6	118.183
C5	C3	H7	118.183	H8	C4	H9	107.616
H8	C4	H10	108.658	H9	C4	H10	108.715
H11	C5	H12	107.616	H11	C5	H13	108.658
H12	C5	H13	108.715

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)