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	hartrees
Energy at 0K	-194.711988
Energy at 298.15K	-194.719509
HF Energy	-193.996673
Nuclear repulsion energy	155.300268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3276	3113	12.24
2	A	3186	3027	3.59
3	A	3173	3015	3.64
4	A	3063	2910	20.71
5	A	1699	1615	0.73
6	A	1492	1417	6.44
7	A	1455	1383	0.01
8	A	1317	1252	0.16
9	A	1270	1207	0.03
10	A	1084	1030	2.82
11	A	1024	973	16.70
12	A	924	878	1.98
13	A	912	866	38.42
14	A	682	649	10.93
15	A	371	353	0.41
16	A	305	289	0.20
17	A	87	83	0.02
18	A	3276	3113	15.68
19	A	3185	3027	9.54
20	A	3173	3015	19.40
21	A	3119	2964	12.63
22	A	1689	1605	13.25
23	A	1461	1388	4.18
24	A	1330	1264	0.22
25	A	1302	1237	2.90
26	A	1184	1125	2.77
27	A	1024	973	20.71
28	A	983	934	2.41
29	A	911	865	34.03
30	A	898	853	6.60
31	A	607	576	12.08
32	A	453	430	2.30
33	A	99	94	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.694
C2	0.000	1.240	-0.161
C3	0.000	-1.240	-0.161
C4	1.002	2.129	-0.204
C5	-1.002	-2.129	-0.204
H6	-0.886	-0.009	1.341
H7	0.886	0.009	1.341
H8	-0.874	1.382	-0.797
H9	0.874	-1.382	-0.797
H10	0.962	2.997	-0.853
H11	-0.962	-2.997	-0.853
H12	1.886	2.006	0.416
H13	-1.886	-2.006	0.416

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5065	1.5065	2.5181	2.5181	1.0972	1.0972	2.2128	2.2128	3.5071	3.5071	2.7672	2.7672
C2	1.5065		2.4805	1.3398	3.5151	2.1453	2.1352	1.0898	2.8364	2.1189	4.3998	2.1158	3.7983
C3	1.5065	2.4805		3.5151	1.3398	2.1352	2.1453	2.8364	1.0898	4.3998	2.1189	3.7983	2.1158
C4	2.5181	1.3398	3.5151		4.7055	3.2432	2.6257	2.1040	3.5632	1.0850	5.5274	1.0867	5.0811
C5	2.5181	3.5151	1.3398	4.7055		2.6257	3.2432	3.5632	2.1040	5.5274	1.0850	5.0811	1.0867
H6	1.0972	2.1453	2.1352	3.2432	2.6257		1.7718	2.5508	3.0911	4.1548	3.7082	3.5494	2.4175
H7	1.0972	2.1352	2.1453	2.6257	3.2432	1.7718		3.0911	2.5508	3.7082	4.1548	2.4175	3.5494
H8	2.2128	1.0898	2.8364	2.1040	3.5632	2.5508	3.0911		3.2707	2.4453	4.3807	3.0784	3.7383
H9	2.2128	2.8364	1.0898	3.5632	2.1040	3.0911	2.5508	3.2707		4.3807	2.4453	3.7383	3.0784
H10	3.5071	2.1189	4.3998	1.0850	5.5274	4.1548	3.7082	2.4453	4.3807		6.2953	1.8568	5.8948
H11	3.5071	4.3998	2.1189	5.5274	1.0850	3.7082	4.1548	4.3807	2.4453	6.2953		5.8948	1.8568
H12	2.7672	2.1158	3.7983	1.0867	5.0811	3.5494	2.4175	3.0784	3.7383	1.8568	5.8948		5.5065
H13	2.7672	3.7983	2.1158	5.0811	1.0867	2.4175	3.5494	3.7383	3.0784	5.8948	1.8568	5.5065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	124.326	C1	C2	H8	116.005
C1	C3	C5	124.326	C1	C3	H9	116.005
C2	C1	C3	110.829	C2	C1	H6	109.965
C2	C1	H7	109.170	C2	C4	H10	121.464
C2	C4	H12	121.024	C3	C1	H6	109.170
C3	C1	H7	109.965	C3	C5	H11	121.464
C3	C5	H13	121.024	C4	C2	H8	119.647
C5	C3	H9	119.647	H6	C1	H7	107.683
H10	C4	H12	117.512	H11	C5	H13	117.512

All results from a given calculation for C₅H₈ (1,4-Pentadiene)

using model chemistry: MP2/6-311G**

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 (1,4-Pentadiene)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for C₅H₈ (1,4-Pentadiene)