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	hartrees
Energy at 0K	-194.739534
Energy at 298.15K	-194.746854
HF Energy	-193.970201
Nuclear repulsion energy	153.870103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3246	3094
2	A'	3180	3030
3	A'	3165	3016
4	A'	3149	3001
5	A'	3146	2998
6	A'	3137	2990
7	A'	3038	2896
8	A'	1710	1630
9	A'	1642	1565
10	A'	1481	1412
11	A'	1462	1393
12	A'	1410	1344
13	A'	1376	1311
14	A'	1303	1241
15	A'	1270	1211
16	A'	1180	1125
17	A'	1052	1002
18	A'	963	918
19	A'	893	851
20	A'	605	576
21	A'	381	363
22	A'	219	208
23	A"	3103	2957
24	A"	1471	1402
25	A"	1045	996
26	A"	1005	958
27	A"	954	909
28	A"	890	849
29	A"	777	741
30	A"	622	592
31	A"	341	325
32	A"	125	119
33	A"	111	106

Atom	x (Å)	y (Å)	z (Å)
C1	2.417	0.156	0.000
C2	1.110	-0.219	0.000
C3	0.000	0.748	0.000
C4	-1.331	0.457	0.000
C5	-1.965	-0.916	0.000
H6	2.706	1.217	0.000
H7	3.226	-0.586	0.000
H8	0.866	-1.290	0.000
H9	0.295	1.810	0.000
H10	-2.033	1.305	0.000
H11	-1.221	-1.731	0.000
H12	-2.613	-1.043	0.890
H13	-2.613	-1.043	-0.890

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3597	2.4887	3.7600	4.5119	1.0995	1.0972	2.1211	2.6901	4.5959	4.0987	5.2471	5.2471
C2	1.3597		1.4723	2.5326	3.1538	2.1464	2.1471	1.0993	2.1858	3.4929	2.7790	3.9157	3.9157
C3	2.4887	1.4723		1.3624	2.5755	2.7460	3.4907	2.2150	1.1014	2.1077	2.7637	3.2905	3.2905
C4	3.7600	2.5326	1.3624		1.5121	4.1074	4.6741	2.8066	2.1153	1.1015	2.1901	2.1641	2.1641
C5	4.5119	3.1538	2.5755	1.5121		5.1352	5.2017	2.8560	3.5410	2.2222	1.1036	1.1079	1.1079
H6	1.0995	2.1464	2.7460	4.1074	5.1352		1.8763	3.1101	2.4822	4.7392	4.9104	5.8469	5.8469
H7	1.0972	2.1471	3.4907	4.6741	5.2017	1.8763		2.4628	3.7848	5.5881	4.5921	5.9238	5.9238
H8	2.1211	1.0993	2.2150	2.8066	2.8560	3.1101	2.4628		3.1520	3.8910	2.1332	3.5995	3.5995
H9	2.6901	2.1858	1.1014	2.1153	3.5410	2.4822	3.7848	3.1520		2.3819	3.8515	4.1694	4.1694
H10	4.5959	3.4929	2.1077	1.1015	2.2222	4.7392	5.5881	3.8910	2.3819		3.1427	2.5770	2.5770
H11	4.0987	2.7790	2.7637	2.1901	1.1036	4.9104	4.5921	2.1332	3.8515	3.1427		1.7896	1.7896
H12	5.2471	3.9157	3.2905	2.1641	1.1079	5.8469	5.9238	3.5995	4.1694	2.5770	1.7896		1.7803
H13	5.2471	3.9157	3.2905	2.1641	1.1079	5.8469	5.9238	3.5995	4.1694	2.5770	1.7896	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.944	C1	C2	H8	118.841
C2	C1	H6	121.207	C2	C1	H7	121.463
C2	C3	C4	126.573	C2	C3	H9	115.511
C3	C2	H8	118.215	C3	C4	C5	127.191
C3	C4	H10	117.223	C4	C3	H9	117.916
C4	C5	H11	112.777	C4	C5	H12	110.425
C4	C5	H13	110.425	C5	C4	H10	115.586
H6	C1	H7	117.329	H11	C5	H12	108.042
H11	C5	H13	108.042	H12	C5	H13	106.914

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

using model chemistry: QCISD(T)/cc-pVDZ

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: QCISD(T)/cc-pVDZ

States and conformations

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