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	hartrees
Energy at 0K	-194.814054
Energy at 298.15K	-194.821396
HF Energy	-194.003803
Nuclear repulsion energy	155.466148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3116	12.53
2	A'	3216	3050	18.81
3	A'	3200	3036	24.47
4	A'	3189	3025	4.18
5	A'	3183	3020	6.15
6	A'	3173	3010	0.15
7	A'	3077	2919	22.69
8	A'	1720	1632	4.06
9	A'	1651	1566	1.68
10	A'	1512	1434	7.61
11	A'	1478	1402	11.13
12	A'	1430	1356	3.54
13	A'	1394	1322	0.73
14	A'	1321	1253	0.99
15	A'	1289	1223	1.10
16	A'	1199	1137	0.96
17	A'	1068	1013	0.01
18	A'	978	927	8.69
19	A'	905	859	1.35
20	A'	615	583	4.35
21	A'	388	368	3.10
22	A'	224	212	0.20
23	A"	3144	2983	16.42
24	A"	1498	1421	7.00
25	A"	1064	1009	2.47
26	A"	1016	964	20.46
27	A"	954	905	3.66
28	A"	887	841	34.90
29	A"	779	739	11.10
30	A"	623	591	27.57
31	A"	339	321	0.26
32	A"	119	113	0.00
33	A"	105	100	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	2.392	0.156	0.000
C2	1.099	-0.216	0.000
C3	0.000	0.742	0.000
C4	-1.318	0.453	0.000
C5	-1.944	-0.910	0.000
H6	2.673	1.205	0.000
H7	3.192	-0.576	0.000
H8	0.860	-1.276	0.000
H9	0.289	1.792	0.000
H10	-2.012	1.291	0.000
H11	-1.207	-1.713	0.000
H12	-2.583	-1.035	0.881
H13	-2.583	-1.035	-0.881

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3456	2.4626	3.7214	4.4652	1.0864	1.0843	2.0967	2.6642	4.5481	4.0547	5.1907	5.1907
C2	1.3456		1.4576	2.5072	3.1211	2.1206	2.1240	1.0867	2.1649	3.4567	2.7486	3.8732	3.8732
C3	2.4626	1.4576		1.3491	2.5511	2.7125	3.4534	2.1939	1.0892	2.0859	2.7353	3.2568	3.2568
C4	3.7214	2.5072	1.3491		1.4994	4.0607	4.6255	2.7808	2.0921	1.0888	2.1682	2.1426	2.1426
C5	4.4652	3.1211	2.5511	1.4994		5.0783	5.1471	2.8286	3.5055	2.2017	1.0906	1.0951	1.0951
H6	1.0864	2.1206	2.7125	4.0607	5.0783		1.8555	3.0728	2.4544	4.6857	4.8542	5.7808	5.7808
H7	1.0843	2.1240	3.4534	4.6255	5.1471	1.8555		2.4344	3.7460	5.5290	4.5431	5.8597	5.8597
H8	2.0967	1.0867	2.1939	2.7808	2.8286	3.0728	2.4344		3.1209	3.8527	2.1126	3.5623	3.5623
H9	2.6642	2.1649	1.0892	2.0921	3.5055	2.4544	3.7460	3.1209		2.3556	3.8108	4.1256	4.1256
H10	4.5481	3.4567	2.0859	1.0888	2.2017	4.6857	5.5290	3.8527	2.3556		3.1100	2.5523	2.5523
H11	4.0547	2.7486	2.7353	2.1682	1.0906	4.8542	4.5431	2.1126	3.8108	3.1100		1.7688	1.7688
H12	5.1907	3.8732	3.2568	2.1426	1.0951	5.7808	5.8597	3.5623	4.1256	2.5523	1.7688		1.7614
H13	5.1907	3.8732	3.2568	2.1426	1.0951	5.7808	5.8597	3.5623	4.1256	2.5523	1.7688	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.880	C1	C2	H8	118.703
C2	C1	H6	121.014	C2	C1	H7	121.515
C2	C3	C4	126.530	C2	C3	H9	115.676
C3	C2	H8	118.417	C3	C4	C5	127.090
C3	C4	H10	117.250	C4	C3	H9	117.794
C4	C5	H11	112.728	C4	C5	H12	110.371
C4	C5	H13	110.371	C5	C4	H10	115.660
H6	C1	H7	117.471	H11	C5	H12	108.049
H11	C5	H13	108.049	H12	C5	H13	107.068

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

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

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