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	hartrees
Energy at 0K	-194.305928
Energy at 298.15K	-194.313199
HF Energy	-193.872120
Nuclear repulsion energy	153.709183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3228	3116	11.31
2	A	3142	3033	16.83
3	A	3131	3023	7.48
4	A	3131	3022	47.45
5	A	3125	3016	46.87
6	A	3068	2961	23.40
7	A	3025	2920	22.12
8	A	3020	2915	52.67
9	A	1984	1915	15.39
10	A	1544	1491	6.11
11	A	1536	1483	8.18
12	A	1528	1475	0.88
13	A	1511	1459	4.10
14	A	1460	1409	7.19
15	A	1413	1364	8.31
16	A	1352	1305	2.21
17	A	1303	1257	0.06
18	A	1158	1118	0.67
19	A	1145	1105	2.92
20	A	1104	1065	3.04
21	A	1054	1018	0.00
22	A	999	964	1.03
23	A	927	895	16.98
24	A	900	869	81.77
25	A	836	807	1.82
26	A	819	791	7.05
27	A	626	605	3.14
28	A	528	510	5.56
29	A	351	339	5.19
30	A	314	303	11.08
31	A	255	246	0.03
32	A	146	141	0.88
33	A	93	90	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	1.417	0.506	0.000
C2	1.505	-1.050	-0.000
C3	-0.028	1.049	0.000
C4	-1.134	0.287	-0.001
C5	-2.243	-0.469	0.000
H6	1.942	0.908	-0.889
H7	1.941	0.908	0.890
H8	1.011	-1.472	0.893
H9	2.563	-1.372	0.001
H10	1.012	-1.471	-0.894
H11	-0.145	2.142	0.001
H12	-2.714	-0.788	0.936
H13	-2.717	-0.789	-0.934

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5587	1.5440	2.5603	3.7882	1.1083	1.1083	2.2076	2.1994	2.2075	2.2624	4.4297	4.4316
C2	1.5587		2.5995	2.9587	3.7935	2.1950	2.1949	1.1044	1.1051	1.1044	3.5936	4.3304	4.3319
C3	1.5440	2.5995		1.3424	2.6852	2.1657	2.1655	2.8686	3.5455	2.8692	1.0992	3.3863	3.3879
C4	2.5603	2.9587	1.3424		1.3428	3.2606	3.2607	2.9141	4.0516	2.9148	2.1012	2.1293	2.1295
C5	3.7882	3.7935	2.6852	1.3428		4.4946	4.4939	3.5201	4.8900	3.5220	3.3490	1.0953	1.0953
H6	1.1083	2.1950	2.1657	3.2606	4.4946		1.7799	3.1158	2.5254	2.5546	2.5824	5.2810	4.9579
H7	1.1083	2.1949	2.1655	3.2607	4.4939	1.7799		2.5550	2.5249	3.1157	2.5820	4.9548	5.2820
H8	2.2076	1.1044	2.8686	2.9141	3.5201	3.1158	2.5550		1.7929	1.7872	3.8974	3.7876	4.2068
H9	2.1994	1.1051	3.5455	4.0516	4.8900	2.5254	2.5249	1.7929		1.7928	4.4360	5.3910	5.3930
H10	2.2075	1.1044	2.8692	2.9148	3.5220	2.5546	3.1157	1.7872	1.7928		3.8980	4.2079	3.7911
H11	2.2624	3.5936	1.0992	2.1012	3.3490	2.5824	2.5820	3.8974	4.4360	3.8980		4.0073	4.0091
H12	4.4297	4.3304	3.3863	2.1293	1.0953	5.2810	4.9548	3.7876	5.3910	4.2079	4.0073		1.8703
H13	4.4316	4.3319	3.3879	2.1295	1.0953	4.9579	5.2820	4.2068	5.3930	3.7911	4.0091	1.8703

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H8	110.827	C1	C2	H9	110.150
C1	C2	H10	110.821	C1	C3	C4	124.861
C1	C3	H11	116.719	C2	C1	C3	113.822
C2	C1	H6	109.619	C2	C1	H7	109.612
C3	C1	H6	108.360	C3	C1	H7	108.344
C3	C4	C5	179.701	C4	C3	H11	118.420
C4	C5	H12	121.366	C4	C5	H13	121.384
H6	C1	H7	106.839	H8	C2	H9	108.472
H8	C2	H10	108.017	H9	C2	H10	108.472
H12	C5	H13	117.250

All results from a given calculation for C₅H₈ (1,2-Pentadiene)

using model chemistry: MP2/SDD

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 (1,2-Pentadiene)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for C₅H₈ (1,2-Pentadiene)