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	hartrees
Energy at 0K	-194.852904
Energy at 298.15K	-194.860334
HF Energy	-194.026548
Nuclear repulsion energy	156.042683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3116	8.87
2	A'	3214	3051	14.50
3	A'	3199	3038	18.71
4	A'	3184	3024	3.66
5	A'	3180	3019	5.22
6	A'	3171	3011	0.37
7	A'	3071	2916	20.22
8	A'	1714	1627	5.01
9	A'	1649	1566	2.34
10	A'	1505	1429	7.24
11	A'	1477	1403	11.97
12	A'	1421	1349	3.36
13	A'	1393	1323	1.09
14	A'	1319	1253	0.75
15	A'	1283	1218	1.28
16	A'	1194	1134	0.93
17	A'	1064	1011	0.03
18	A'	974	925	9.68
19	A'	905	859	2.08
20	A'	612	581	4.33
21	A'	385	366	3.26
22	A'	223	212	0.22
23	A"	3136	2978	12.12
24	A"	1497	1421	6.17
25	A"	1062	1008	2.81
26	A"	1036	983	16.04
27	A"	982	933	3.04
28	A"	928	881	38.03
29	A"	802	761	7.94
30	A"	642	610	27.16
31	A"	356	338	0.31
32	A"	130	124	0.03
33	A"	113	107	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	2.383	0.152	0.000
C2	1.092	-0.215	0.000
C3	0.000	0.742	0.000
C4	-1.314	0.453	0.000
C5	-1.934	-0.907	0.000
H6	2.663	1.197	0.000
H7	3.177	-0.580	0.000
H8	0.853	-1.271	0.000
H9	0.289	1.788	0.000
H10	-2.004	1.289	0.000
H11	-1.197	-1.704	0.000
H12	-2.571	-1.036	0.876
H13	-2.571	-1.036	-0.876

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3416	2.4546	3.7086	4.4446	1.0821	1.0798	2.0891	2.6565	4.5319	4.0320	5.1689	5.1689
C2	1.3416		1.4524	2.4971	3.1043	2.1120	2.1162	1.0823	2.1576	3.4425	2.7307	3.8550	3.8550
C3	2.4546	1.4524		1.3451	2.5416	2.7012	3.4408	2.1860	1.0846	2.0776	2.7235	3.2464	3.2464
C4	3.7086	2.4971	1.3451		1.4948	4.0453	4.6078	2.7685	2.0856	1.0841	2.1606	2.1367	2.1367
C5	4.4446	3.1043	2.5416	1.4948		5.0553	5.1213	2.8104	3.4932	2.1967	1.0861	1.0907	1.0907
H6	1.0821	2.1120	2.7012	4.0453	5.0553		1.8497	3.0603	2.4457	4.6679	4.8283	5.7572	5.7572
H7	1.0798	2.1162	3.4408	4.6078	5.1213	1.8497		2.4246	3.7338	5.5078	4.5157	5.8321	5.8321
H8	2.0891	1.0823	2.1860	2.7685	2.8104	3.0603	2.4246		3.1096	3.8358	2.0948	3.5418	3.5418
H9	2.6565	2.1576	1.0846	2.0856	3.4932	2.4457	3.7338	3.1096		2.3473	3.7948	4.1134	4.1134
H10	4.5319	3.4425	2.0776	1.0841	2.1967	4.6679	5.5078	3.8358	2.3473		3.1000	2.5480	2.5480
H11	4.0320	2.7307	2.7235	2.1606	1.0861	4.8283	4.5157	2.0948	3.7948	3.1000		1.7615	1.7615
H12	5.1689	3.8550	3.2464	2.1367	1.0907	5.7572	5.8321	3.5418	4.1134	2.5480	1.7615		1.7517
H13	5.1689	3.8550	3.2464	2.1367	1.0907	5.7572	5.8321	3.5418	4.1134	2.5480	1.7615	1.7517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.883	C1	C2	H8	118.668
C2	C1	H6	120.877	C2	C1	H7	121.466
C2	C3	C4	126.357	C2	C3	H9	115.768
C3	C2	H8	118.448	C3	C4	C5	126.927
C3	C4	H10	117.171	C4	C3	H9	117.875
C4	C5	H11	112.721	C4	C5	H12	110.492
C4	C5	H13	110.492	C5	C4	H10	115.902
H6	C1	H7	117.657	H11	C5	H12	108.037
H11	C5	H13	108.037	H12	C5	H13	106.841

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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