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	hartrees
Energy at 0K	-191.898099
Energy at 298.15K	-191.905247
HF Energy	-191.596858
Nuclear repulsion energy	153.044567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3612	3210	0.29
2	A'	3565	3169	1.76
3	A'	3520	3129	1.82
4	A'	3504	3115	2.11
5	A'	3485	3098	6.51
6	A'	3455	3071	10.77
7	A'	3368	2994	2.49
8	A'	1838	1633	0.66
9	A'	1770	1573	1.39
10	A'	1724	1532	2.55
11	A'	1625	1444	0.55
12	A'	1605	1426	4.81
13	A'	1519	1350	9.86
14	A'	1427	1269	4.44
15	A'	1378	1225	0.03
16	A'	1279	1137	1.29
17	A'	1149	1021	0.61
18	A'	1045	929	2.00
19	A'	951	845	0.02
20	A'	644	573	2.51
21	A'	398	354	1.13
22	A'	228	203	0.09
23	A"	3527	3135	1.80
24	A"	1722	1531	1.83
25	A"	1183	1052	0.01
26	A"	1137	1011	4.68
27	A"	1082	962	0.35
28	A"	981	872	11.92
29	A"	843	749	3.15
30	A"	672	598	8.83
31	A"	372	331	0.05
32	A"	120	107	0.00
33	A"	94	83	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	2.429	0.127	0.000
C2	1.123	-0.235	0.000
C3	0.000	0.760	0.000
C4	-1.331	0.482	0.000
C5	-1.988	-0.907	0.000
H6	2.732	1.184	0.000
H7	3.234	-0.619	0.000
H8	0.862	-1.304	0.000
H9	0.310	1.817	0.000
H10	-2.034	1.332	0.000
H11	-1.242	-1.718	0.000
H12	-2.631	-1.028	0.891
H13	-2.631	-1.028	-0.891

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3543	2.5095	3.7759	4.5359	1.0990	1.0985	2.1218	2.7101	4.6221	4.1084	5.2658	5.2658
C2	1.3543		1.5003	2.5567	3.1832	2.1444	2.1456	1.1006	2.2075	3.5246	2.7921	3.9396	3.9396
C3	2.5095	1.5003		1.3593	2.5940	2.7646	3.5160	2.2361	1.1023	2.1129	2.7712	3.3035	3.3035
C4	3.7759	2.5567	1.3593		1.5367	4.1227	4.6960	2.8278	2.1154	1.1027	2.2015	2.1832	2.1832
C5	4.5359	3.1832	2.5940	1.5367		5.1620	5.2302	2.8773	3.5640	2.2389	1.1014	1.1055	1.1055
H6	1.0990	2.1444	2.7646	4.1227	5.1620		1.8715	3.1118	2.5035	4.7682	4.9205	5.8693	5.8693
H7	1.0985	2.1456	3.5160	4.6960	5.2302	1.8715		2.4692	3.8065	5.6179	4.6094	5.9468	5.9468
H8	2.1218	1.1006	2.2361	2.8278	2.8773	3.1118	2.4692		3.1696	3.9154	2.1445	3.6153	3.6153
H9	2.7101	2.2075	1.1023	2.1154	3.5640	2.5035	3.8065	3.1696		2.3938	3.8608	4.1884	4.1884
H10	4.6221	3.5246	2.1129	1.1027	2.2389	4.7682	5.6179	3.9154	2.3938		3.1502	2.5922	2.5922
H11	4.1084	2.7921	2.7712	2.2015	1.1014	4.9205	4.6094	2.1445	3.8608	3.1502		1.7881	1.7881
H12	5.2658	3.9396	3.3035	2.1832	1.1055	5.8693	5.9468	3.6153	4.1884	2.5922	1.7881		1.7816
H13	5.2658	3.9396	3.3035	2.1832	1.1055	5.8693	5.9468	3.6153	4.1884	2.5922	1.7881	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.988	C1	C2	H8	119.254
C2	C1	H6	121.529	C2	C1	H7	121.684
C2	C3	C4	126.714	C2	C3	H9	115.176
C3	C2	H8	117.757	C3	C4	C5	127.097
C3	C4	H10	117.848	C4	C3	H9	118.110
C4	C5	H11	112.074	C4	C5	H12	110.377
C4	C5	H13	110.377	C5	C4	H10	115.055
H6	C1	H7	116.787	H11	C5	H12	108.239
H11	C5	H13	108.239	H12	C5	H13	107.382

All results from a given calculation for C₅H₈ (1,3-Pentadiene, (Z)-)

using model chemistry: MP2=FULL/STO-3G

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 (1,3-Pentadiene, (Z)-)

using model chemistry: MP2=FULL/STO-3G

States and conformations

All results from a given calculation for C₅H₈ (1,3-Pentadiene, (Z)-)