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	hartrees
Energy at 0K	-194.527784
Energy at 298.15K	-194.535331
HF Energy	-193.956060
Nuclear repulsion energy	156.011374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3360	3103	17.69
2	A	3301	3050	15.93
3	A	3283	3033	32.48
4	A	3272	3023	6.56
5	A	3263	3014	9.04
6	A	3253	3005	2.21
7	A	3210	2965	22.73
8	A	3154	2913	26.71
9	A	1853	1712	5.74
10	A	1774	1639	1.55
11	A	1588	1467	6.37
12	A	1577	1456	6.34
13	A	1556	1438	9.93
14	A	1516	1400	3.02
15	A	1474	1361	1.26
16	A	1398	1291	1.36
17	A	1363	1259	0.97
18	A	1254	1158	1.06
19	A	1131	1044	1.15
20	A	1123	1037	0.03
21	A	1083	1000	14.41
22	A	1040	961	1.86
23	A	1014	937	8.38
24	A	992	916	48.13
25	A	938	867	0.94
26	A	842	778	9.34
27	A	667	616	26.73
28	A	640	592	4.86
29	A	405	374	3.75
30	A	374	345	0.19
31	A	234	216	0.33
32	A	124	114	0.05
33	A	109	101	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-1.063	-0.376	0.000
C2	-0.105	0.729	0.000
C3	1.225	0.637	-0.000
C4	-2.381	-0.196	-0.000
C5	2.061	-0.607	-0.000
H6	-0.674	-1.386	0.000
H7	-0.545	1.719	0.000
H8	1.788	1.564	-0.000
H9	-2.819	0.792	-0.000
H10	-3.068	-1.029	-0.000
H11	2.713	-0.629	-0.875
H12	1.467	-1.516	-0.004
H13	2.708	-0.632	0.878

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.4626	2.5026	1.3302	3.1324	1.0816	2.1587	3.4480	2.1098	2.1090	3.8838	2.7745	3.8798
C2	1.4626		1.3334	2.4568	2.5448	2.1898	1.0840	2.0685	2.7153	3.4456	3.2477	2.7405	3.2456
C3	2.5026	1.3334		3.7012	1.4988	2.7748	2.0751	1.0838	4.0478	4.6057	2.1401	2.1668	2.1402
C4	1.3302	2.4568	3.7012		4.4608	2.0802	2.6533	4.5248	1.0817	1.0798	5.1861	4.0675	5.1820
C5	3.1324	2.5448	1.4988	4.4608		2.8438	3.4935	2.1878	5.0772	5.1468	1.0910	1.0863	1.0910
H6	1.0816	2.1898	2.7748	2.0802	2.8438		3.1077	3.8417	3.0572	2.4207	3.5790	2.1447	3.5740
H7	2.1587	1.0840	2.0751	2.6533	3.4935	3.1077		2.3380	2.4560	3.7310	4.1102	3.8101	4.1088
H8	3.4480	2.0685	1.0838	4.5248	2.1878	3.8417	2.3380		4.6713	5.5048	2.5353	3.0965	2.5378
H9	2.1098	2.7153	4.0478	1.0817	5.0772	3.0572	2.4560	4.6713		1.8382	5.7783	4.8683	5.7750
H10	2.1090	3.4456	4.6057	1.0798	5.1468	2.4207	3.7310	5.5048	1.8382		5.8605	4.5611	5.8558
H11	3.8838	3.2477	2.1401	5.1861	1.0910	3.5790	4.1102	2.5353	5.7783	5.8605		1.7604	1.7533
H12	2.7745	2.7405	2.1668	4.0675	1.0863	2.1447	3.8101	3.0965	4.8683	4.5611	1.7604		1.7605
H13	3.8798	3.2456	2.1402	5.1820	1.0910	3.5740	4.1088	2.5378	5.7750	5.8558	1.7533	1.7605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	126.975	C1	C2	H8	154.721
C2	C1	H6	118.015	C2	C1	H7	27.043
C2	C3	C4	16.959	C2	C3	H9	1.747
C3	C2	H8	27.746	C3	C4	C5	18.296
C3	C4	H10	142.567	C4	C3	H9	15.212
C4	C5	H11	126.621	C4	C5	H12	62.106
C4	C5	H13	126.312	C5	C4	H10	124.271
H6	C1	H7	145.058	H11	C5	H12	107.903
H11	C5	H13	106.935	H12	C5	H13	107.908

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

using model chemistry: CID/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, (E)-)

using model chemistry: CID/6-31G*

States and conformations

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