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	hartrees
Energy at 0K	-194.329633
Energy at 298.15K	-194.336951
HF Energy	-193.881390
Nuclear repulsion energy	153.869097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	3118	23.97
2	A'	3180	3042	35.50
3	A'	3170	3034	28.01
4	A'	3161	3024	9.27
5	A'	3150	3014	12.81
6	A'	3135	2999	3.88
7	A'	3052	2921	26.19
8	A'	1714	1640	2.24
9	A'	1650	1579	1.00
10	A'	1568	1500	5.95
11	A'	1520	1455	6.29
12	A'	1489	1424	5.77
13	A'	1444	1382	0.82
14	A'	1369	1310	0.53
15	A'	1337	1280	0.74
16	A'	1222	1169	1.92
17	A'	1101	1053	0.31
18	A'	990	947	7.16
19	A'	902	863	0.83
20	A'	629	602	4.21
21	A'	395	378	2.37
22	A'	226	216	0.14
23	A"	3116	2981	25.93
24	A"	1554	1487	6.65
25	A"	1115	1067	0.69
26	A"	1012	968	22.58
27	A"	964	922	6.10
28	A"	915	876	40.63
29	A"	784	751	14.08
30	A"	625	598	27.37
31	A"	346	331	0.21
32	A"	101	96	0.01
33	A"	87	83	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	2.422	0.156	0.000
C2	1.116	-0.217	0.000
C3	0.000	0.747	0.000
C4	-1.331	0.458	0.000
C5	-1.976	-0.916	0.000
H6	2.718	1.207	0.000
H7	3.230	-0.575	0.000
H8	0.876	-1.283	0.000
H9	0.293	1.803	0.000
H10	-2.034	1.296	0.000
H11	-1.233	-1.724	0.000
H12	-2.616	-1.046	0.886
H13	-2.616	-1.046	-0.886

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3588	2.4934	3.7657	4.5270	1.0916	1.0888	2.1122	2.6919	4.5994	4.1106	5.2547	5.2547
C2	1.3588		1.4743	2.5381	3.1697	2.1431	2.1444	1.0925	2.1805	3.4936	2.7909	3.9237	3.9237
C3	2.4934	1.4743		1.3625	2.5828	2.7562	3.4898	2.2106	1.0953	2.1063	2.7617	3.2931	3.2931
C4	3.7657	2.5381	1.3625		1.5173	4.1177	4.6765	2.8104	2.1089	1.0936	2.1835	2.1672	2.1672
C5	4.5270	3.1697	2.5828	1.5173		5.1514	5.2171	2.8751	3.5410	2.2125	1.0973	1.1008	1.1008
H6	1.0916	2.1431	2.7562	4.1177	5.1514		1.8534	3.0967	2.4969	4.7522	4.9192	5.8572	5.8572
H7	1.0888	2.1444	3.4898	4.6765	5.2171	1.8534		2.4585	3.7784	5.5859	4.6089	5.9311	5.9311
H8	2.1122	1.0925	2.2106	2.8104	2.8751	3.0967	2.4585		3.1397	3.8873	2.1547	3.6097	3.6097
H9	2.6919	2.1805	1.0953	2.1089	3.5410	2.4969	3.7784	3.1397		2.3811	3.8426	4.1668	4.1668
H10	4.5994	3.4936	2.1063	1.0936	2.2125	4.7522	5.5859	3.8873	2.3811		3.1238	2.5710	2.5710
H11	4.1106	2.7909	2.7617	2.1835	1.0973	4.9192	4.6089	2.1547	3.8426	3.1238		1.7762	1.7762
H12	5.2547	3.9237	3.2931	2.1672	1.1008	5.8572	5.9311	3.6097	4.1668	2.5710	1.7762		1.7726
H13	5.2547	3.9237	3.2931	2.1672	1.1008	5.8572	5.9311	3.6097	4.1668	2.5710	1.7762	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.255	C1	C2	H8	118.603
C2	C1	H6	121.614	C2	C1	H7	121.962
C2	C3	C4	126.893	C2	C3	H9	115.319
C3	C2	H8	118.142	C3	C4	C5	127.422
C3	C4	H10	117.683	C4	C3	H9	117.788
C4	C5	H11	112.263	C4	C5	H12	110.743
C4	C5	H13	110.743	C5	C4	H10	114.895
H6	C1	H7	116.424	H11	C5	H12	107.820
H11	C5	H13	107.820	H12	C5	H13	107.254

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

using model chemistry: MP2/6-31G

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

using model chemistry: MP2/6-31G

States and conformations

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