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	hartrees
Energy at 0K	-194.712590
Energy at 298.15K	-194.719967
HF Energy	-193.971398
Nuclear repulsion energy	154.137956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3263	3131	15.32
2	A'	3203	3073	15.47
3	A'	3186	3057	27.34
4	A'	3168	3040	10.03
5	A'	3166	3037	7.01
6	A'	3157	3028	1.32
7	A'	3056	2932	29.78
8	A'	1752	1681	5.00
9	A'	1676	1608	1.75
10	A'	1492	1432	4.08
11	A'	1475	1415	10.25
12	A'	1424	1366	1.50
13	A'	1391	1335	2.07
14	A'	1318	1264	1.80
15	A'	1284	1232	1.13
16	A'	1191	1143	0.55
17	A'	1062	1019	0.08
18	A'	971	932	7.43
19	A'	901	864	1.14
20	A'	611	586	4.03
21	A'	385	369	3.00
22	A'	220	211	0.22
23	A"	3118	2992	20.67
24	A"	1481	1421	5.18
25	A"	1059	1016	1.59
26	A"	1025	983	12.82
27	A"	979	939	3.20
28	A"	921	883	31.37
29	A"	794	762	8.45
30	A"	633	608	21.24
31	A"	351	337	0.14
32	A"	123	118	0.00
33	A"	109	105	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	2.413	0.150	0.000
C2	1.112	-0.221	0.000
C3	0.000	0.747	0.000
C4	-1.325	0.459	0.000
C5	-1.967	-0.909	0.000
H6	2.704	1.208	0.000
H7	3.220	-0.592	0.000
H8	0.867	-1.291	0.000
H9	0.296	1.806	0.000
H10	-2.024	1.307	0.000
H11	-1.231	-1.729	0.000
H12	-2.614	-1.031	0.889
H13	-2.614	-1.031	-0.889

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3529	2.4857	3.7503	4.5062	1.0978	1.0957	2.1133	2.6875	4.5854	4.0993	5.2401	5.2401
C2	1.3529		1.4744	2.5296	3.1549	2.1398	2.1401	1.0972	2.1850	3.4886	2.7857	3.9156	3.9156
C3	2.4857	1.4744		1.3557	2.5713	2.7431	3.4869	2.2144	1.0994	2.1002	2.7647	3.2844	3.2844
C4	3.7503	2.5296	1.3557		1.5108	4.0979	4.6641	2.8039	2.1077	1.0997	2.1892	2.1616	2.1616
C5	4.5062	3.1549	2.5713	1.5108		5.1286	5.1965	2.8594	3.5344	2.2168	1.1019	1.1065	1.1065
H6	1.0978	2.1398	2.7431	4.0979	5.1286		1.8722	3.1018	2.4809	4.7292	4.9100	5.8388	5.8388
H7	1.0957	2.1401	3.4869	4.6641	5.1965	1.8722		2.4547	3.7807	5.5769	4.5934	5.9178	5.9178
H8	2.1133	1.0972	2.2144	2.8039	2.8594	3.1018	2.4547		3.1486	3.8866	2.1426	3.6022	3.6022
H9	2.6875	2.1850	1.0994	2.1077	3.5344	2.4809	3.7807	3.1486		2.3733	3.8501	4.1604	4.1604
H10	4.5854	3.4886	2.1002	1.0997	2.2168	4.7292	5.5769	3.8866	2.3733		3.1377	2.5701	2.5701
H11	4.0993	2.7857	2.7647	2.1892	1.1019	4.9100	4.5934	2.1426	3.8501	3.1377		1.7866	1.7866
H12	5.2401	3.9156	3.2844	2.1616	1.1065	5.8388	5.9178	3.6022	4.1604	2.5701	1.7866		1.7782
H13	5.2401	3.9156	3.2844	2.1616	1.1065	5.8388	5.9178	3.6022	4.1604	2.5701	1.7866	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.029	C1	C2	H8	118.834
C2	C1	H6	121.299	C2	C1	H7	121.503
C2	C3	C4	126.659	C2	C3	H9	115.421
C3	C2	H8	118.137	C3	C4	C5	127.456
C3	C4	H10	117.207	C4	C3	H9	117.920
C4	C5	H11	112.899	C4	C5	H12	110.401
C4	C5	H13	110.401	C5	C4	H10	115.337
H6	C1	H7	117.198	H11	C5	H12	107.993
H11	C5	H13	107.993	H12	C5	H13	106.931

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

using model chemistry: QCISD/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/cc-pVDZ

States and conformations

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