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	hartrees
Energy at 0K	-194.589628
Energy at 298.15K	-194.597054
HF Energy	-193.952381
Nuclear repulsion energy	155.031224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3308	3120	13.26
2	A	3217	3034	4.56
3	A	3207	3024	31.50
4	A	3203	3020	14.82
5	A	3189	3008	13.29
6	A	3189	3007	7.72
7	A	3166	2986	18.50
8	A	3093	2916	23.60
9	A	1739	1640	4.32
10	A	1709	1612	3.04
11	A	1557	1468	9.35
12	A	1542	1454	6.75
13	A	1492	1407	3.21
14	A	1472	1388	1.36
15	A	1373	1295	0.07
16	A	1362	1284	0.37
17	A	1338	1261	0.82
18	A	1175	1108	0.97
19	A	1108	1044	0.53
20	A	1097	1034	0.64
21	A	1037	978	11.75
22	A	1026	968	29.09
23	A	999	942	16.47
24	A	936	882	3.78
25	A	921	869	39.50
26	A	816	770	1.56
27	A	668	630	4.55
28	A	573	540	2.11
29	A	394	371	1.38
30	A	253	239	2.00
31	A	218	206	0.74
32	A	181	170	1.17
33	A	148	139	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	2.158	-0.609	-0.116
C2	1.463	0.519	0.109
C3	0.013	0.665	-0.094
C4	-0.892	-0.291	0.180
C5	-2.367	-0.158	-0.050
H6	1.682	-1.504	-0.507
H7	3.225	-0.667	0.077
H8	1.989	1.407	0.461
H9	-0.327	1.628	-0.481
H10	-0.551	-1.234	0.609
H11	-2.614	0.823	-0.467
H12	-2.726	-0.925	-0.745
H13	-2.924	-0.285	0.885

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3435	2.4939	3.0804	4.5478	1.0870	1.0857	2.1033	3.3623	2.8726	4.9936	4.9341	5.1894
C2	1.3435		1.4707	2.4910	3.8926	2.1262	2.1239	1.0908	2.1860	2.7160	4.1279	4.5122	4.5267
C3	2.4939	1.4707		1.3446	2.5192	2.7674	3.4804	2.1826	1.0918	2.1021	2.6579	3.2336	3.2387
C4	3.0804	2.4910	1.3446		1.4990	2.9273	4.1350	3.3560	2.1062	1.0912	2.1498	2.1498	2.1509
C5	4.5478	3.8926	2.5192	1.4990		4.2914	5.6164	4.6572	2.7456	2.2119	1.0937	1.0958	1.0956
H6	1.0870	2.1262	2.7674	2.9273	4.2914		1.8500	3.0833	3.7206	2.5105	4.8853	4.4519	4.9637
H7	1.0857	2.1239	3.4804	4.1350	5.6164	1.8500		2.4440	4.2643	3.8547	6.0495	6.0125	6.2133
H8	2.1033	1.0908	2.1826	3.3560	4.6572	3.0833	2.4440		2.5099	3.6672	4.7317	5.3970	5.2136
H9	3.3623	2.1860	1.0918	2.1062	2.7456	3.7206	4.2643	2.5099		3.0705	2.4245	3.5135	3.5029
H10	2.8726	2.7160	2.1021	1.0912	2.2119	2.5105	3.8547	3.6672	3.0705		3.1054	2.5807	2.5710
H11	4.9936	4.1279	2.6579	2.1498	1.0937	4.8853	6.0495	4.7317	2.4245	3.1054		1.7738	1.7752
H12	4.9341	4.5122	3.2336	2.1498	1.0958	4.4519	6.0125	5.3970	3.5135	2.5807	1.7738		1.7627
H13	5.1894	4.5267	3.2387	2.1509	1.0956	4.9637	6.2133	5.2136	3.5029	2.5710	1.7752	1.7627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.736	C1	C2	H8	119.178
C2	C1	H6	121.690	C2	C1	H7	121.565
C2	C3	C4	124.395	C2	C3	H9	116.313
C3	C2	H8	116.084	C3	C4	C5	124.649
C3	C4	H10	118.944	C4	C3	H9	119.286
C4	C5	H11	111.065	C4	C5	H12	110.935
C4	C5	H13	111.035	C5	C4	H10	116.405
H6	C1	H7	116.743	H11	C5	H12	108.211
H11	C5	H13	108.352	H12	C5	H13	107.095

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)-)