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	hartrees
Energy at 0K	-194.658190
Energy at 298.15K	-194.665585
HF Energy	-193.971459
Nuclear repulsion energy	153.491358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3341	3129	13.10
2	A	3242	3036	4.58
3	A	3232	3027	48.81
4	A	3229	3024	6.04
5	A	3219	3015	3.50
6	A	3216	3012	3.33
7	A	3115	2917	27.89
8	A	1759	1647	5.51
9	A	1695	1588	1.81
10	A	1552	1454	5.95
11	A	1497	1401	1.62
12	A	1463	1370	3.69
13	A	1363	1276	2.46
14	A	1348	1263	0.14
15	A	1326	1242	2.08
16	A	1241	1162	0.53
17	A	1136	1063	0.21
18	A	1014	949	6.53
19	A	933	873	3.65
20	A	488	457	0.01
21	A	457	428	0.24
22	A	197	185	1.36
23	A	3194	2991	20.00
24	A	1536	1439	5.08
25	A	1088	1019	0.34
26	A	1051	984	40.51
27	A	988	925	4.09
28	A	906	848	36.31
29	A	816	764	1.93
30	A	639	599	1.16
31	A	251	235	2.19
32	A	203	190	0.00
33	A	128	120	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	-2.411	0.790	0.000
C2	-1.411	-0.107	0.000
C3	0.000	0.250	0.000
C4	1.000	-0.650	0.000
C5	2.455	-0.303	0.000
H6	-2.210	1.854	0.000
H7	-3.447	0.484	0.000
H8	-1.646	-1.167	0.000
H9	0.240	1.310	0.000
H10	0.747	-1.707	0.000
H11	2.599	0.776	0.000
H12	2.958	-0.714	0.877
H13	2.958	-0.714	-0.877

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3437	2.4705	3.7025	4.9870	1.0821	1.0801	2.1012	2.7010	4.0260	5.0095	5.6438	5.6438
C2	1.3437		1.4551	2.4711	3.8705	2.1175	2.1202	1.0857	2.1754	2.6862	4.1055	4.4967	4.4967
C3	2.4705	1.4551		1.3456	2.5165	2.7307	3.4546	2.1720	1.0869	2.0948	2.6515	3.2322	3.2322
C4	3.7025	2.4711	1.3456		1.4956	4.0713	4.5891	2.6962	2.1027	1.0866	2.1426	2.1463	2.1463
C5	4.9870	3.8705	2.5165	1.4956		5.1397	5.9539	4.1910	2.7405	2.2106	1.0892	1.0913	1.0913
H6	1.0821	2.1175	2.7307	4.0713	5.1397		1.8449	3.0728	2.5096	4.6287	4.9282	5.8369	5.8369
H7	1.0801	2.1202	3.4546	4.5891	5.9539	1.8449		2.4430	3.7777	4.7318	6.0524	6.5743	6.5743
H8	2.1012	1.0857	2.1720	2.6962	4.1910	3.0728	2.4430		3.1133	2.4536	4.6686	4.7087	4.7087
H9	2.7010	2.1754	1.0869	2.1027	2.7405	2.5096	3.7777	3.1133		3.0595	2.4186	3.5005	3.5005
H10	4.0260	2.6862	2.0948	1.0866	2.2106	4.6287	4.7318	2.4536	3.0595		3.0976	2.5774	2.5774
H11	5.0095	4.1055	2.6515	2.1426	1.0892	4.9282	6.0524	4.6686	2.4186	3.0976		1.7660	1.7660
H12	5.6438	4.4967	3.2322	2.1463	1.0913	5.8369	6.5743	4.7087	3.5005	2.5774	1.7660		1.7546
H13	5.6438	4.4967	3.2322	2.1463	1.0913	5.8369	6.5743	4.7087	3.5005	2.5774	1.7660	1.7546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.895	C1	C2	H8	119.366
C2	C1	H6	121.223	C2	C1	H7	121.649
C2	C3	C4	123.799	C2	C3	H9	116.950
C3	C2	H8	116.739	C3	C4	C5	124.593
C3	C4	H10	118.537	C4	C3	H9	119.250
C4	C5	H11	111.001	C4	C5	H12	111.162
C4	C5	H13	111.162	C5	C4	H10	116.870
H6	C1	H7	117.128	H11	C5	H12	108.174
H11	C5	H13	108.174	H12	C5	H13	107.006

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

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, (E)-)

using model chemistry: MP2/6-31G**

States and conformations

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