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	hartrees
Energy at 0K	-195.385370
Energy at 298.15K	-195.392779
HF Energy	-195.385370
Nuclear repulsion energy	155.276234

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3219	3114	12.11
2	A	3138	3036	3.11
3	A	3131	3029	40.50
4	A	3128	3026	9.01
5	A	3112	3011	10.61
6	A	3091	2990	12.99
7	A	3048	2949	18.06
8	A	3010	2913	33.21
9	A	1710	1654	5.89
10	A	1675	1621	19.58
11	A	1491	1442	13.25
12	A	1478	1430	6.92
13	A	1457	1409	3.98
14	A	1414	1368	0.77
15	A	1352	1308	0.31
16	A	1335	1292	0.53
17	A	1317	1274	0.58
18	A	1141	1104	1.07
19	A	1080	1045	0.86
20	A	1071	1036	1.41
21	A	1032	999	18.68
22	A	1008	975	22.86
23	A	994	961	18.42
24	A	941	910	37.88
25	A	903	873	7.22
26	A	837	810	1.57
27	A	660	639	7.17
28	A	577	559	5.07
29	A	388	375	2.07
30	A	245	237	2.48
31	A	216	209	1.04
32	A	183	177	1.18
33	A	129	125	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	2.173	-0.594	-0.110
C2	1.460	0.510	0.105
C3	0.010	0.648	-0.090
C4	-0.897	-0.293	0.170
C5	-2.372	-0.151	-0.049
H6	1.720	-1.501	-0.491
H7	3.238	-0.623	0.078
H8	1.974	1.406	0.438
H9	-0.326	1.615	-0.454
H10	-0.564	-1.240	0.586
H11	-2.624	0.830	-0.452
H12	-2.737	-0.910	-0.747
H13	-2.923	-0.292	0.884

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3320	2.4944	3.0977	4.5669	1.0828	1.0817	2.0842	3.3538	2.8972	5.0155	4.9608	5.2010
C2	1.3320		1.4692	2.4908	3.8913	2.1136	2.1081	1.0861	2.1738	2.7181	4.1340	4.5111	4.5230
C3	2.4944	1.4692		1.3333	2.5131	2.7757	3.4728	2.1705	1.0868	2.0861	2.6651	3.2254	3.2307
C4	3.0977	2.4908	1.3333		1.4977	2.9576	4.1492	3.3473	2.0879	1.0860	2.1517	2.1458	2.1478
C5	4.5669	3.8913	2.5131	1.4977		4.3316	5.6309	4.6424	2.7332	2.2035	1.0899	1.0930	1.0928
H6	1.0828	2.1136	2.7757	2.9576	4.3316		1.8437	3.0632	3.7287	2.5389	4.9301	4.5031	4.9912
H7	1.0817	2.1081	3.4728	4.1492	5.6309	1.8437		2.4174	4.2419	3.8852	6.0622	6.0379	6.2222
H8	2.0842	1.0861	2.1705	3.3473	4.6424	3.0632	2.4174		2.4762	3.6698	4.7188	5.3814	5.2023
H9	3.3538	2.1738	1.0868	2.0879	2.7332	3.7287	4.2419	2.4762		3.0481	2.4285	3.5033	3.4888
H10	2.8972	2.7181	2.0861	1.0860	2.2035	2.5389	3.8852	3.6698	3.0481		3.0986	2.5696	2.5596
H11	5.0155	4.1340	2.6651	2.1517	1.0899	4.9301	6.0622	4.7188	2.4285	3.0986		1.7678	1.7695
H12	4.9608	4.5111	3.2254	2.1458	1.0930	4.5031	6.0379	5.3814	3.5033	2.5696	1.7678		1.7536
H13	5.2010	4.5230	3.2307	2.1478	1.0928	4.9912	6.2222	5.2023	3.4888	2.5596	1.7695	1.7536

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	125.794	C1	C2	H8	118.717
C2	C1	H6	121.813	C2	C1	H7	121.366
C2	C3	C4	125.369	C2	C3	H9	115.715
C3	C2	H8	115.478	C3	C4	C5	125.069
C3	C4	H10	118.789	C4	C3	H9	118.895
C4	C5	H11	111.541	C4	C5	H12	110.876
C4	C5	H13	111.054	C5	C4	H10	116.138
H6	C1	H7	116.818	H11	C5	H12	108.162
H11	C5	H13	108.329	H12	C5	H13	106.696

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

using model chemistry: B3LYP/aug-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: B3LYP/aug-cc-pVTZ

States and conformations

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