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	hartrees
Energy at 0K	-194.753564
Energy at 298.15K	-194.760883
HF Energy	-193.990327
Nuclear repulsion energy	155.389087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3108	13.89
2	A'	3214	3044	19.80
3	A'	3197	3028	25.84
4	A'	3187	3019	4.84
5	A'	3181	3013	6.75
6	A'	3170	3002	0.17
7	A'	3076	2914	21.65
8	A'	1726	1635	4.25
9	A'	1657	1570	1.73
10	A'	1531	1450	10.46
11	A'	1491	1412	12.55
12	A'	1451	1374	5.90
13	A'	1408	1333	0.32
14	A'	1339	1268	0.89
15	A'	1306	1237	1.09
16	A'	1208	1144	1.45
17	A'	1082	1024	0.01
18	A'	984	932	9.84
19	A'	910	862	1.34
20	A'	619	586	4.87
21	A'	392	371	3.37
22	A'	226	214	0.20
23	A"	3142	2976	16.78
24	A"	1521	1441	9.44
25	A"	1073	1016	1.52
26	A"	1008	955	23.85
27	A"	946	896	2.76
28	A"	884	837	44.26
29	A"	785	743	11.82
30	A"	624	591	34.26
31	A"	341	323	0.39
32	A"	114	108	0.11
33	A"	95	90	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	2.394	0.159	0.000
C2	1.102	-0.215	0.000
C3	0.000	0.740	0.000
C4	-1.318	0.450	0.000
C5	-1.949	-0.910	0.000
H6	2.679	1.207	0.000
H7	3.196	-0.570	0.000
H8	0.869	-1.276	0.000
H9	0.287	1.791	0.000
H10	-2.012	1.289	0.000
H11	-1.217	-1.717	0.000
H12	-2.589	-1.036	0.879
H13	-2.589	-1.036	-0.879

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3455	2.4637	3.7232	4.4728	1.0862	1.0842	2.0948	2.6656	4.5487	4.0700	5.1993	5.1993
C2	1.3455		1.4578	2.5089	3.1288	2.1237	2.1244	1.0870	2.1652	3.4577	2.7634	3.8817	3.8817
C3	2.4637	1.4578		1.3493	2.5536	2.7196	3.4544	2.1956	1.0897	2.0855	2.7425	3.2601	3.2601
C4	3.7232	2.5089	1.3493		1.4990	4.0680	4.6276	2.7856	2.0915	1.0893	2.1694	2.1435	2.1435
C5	4.4728	3.1288	2.5536	1.4990		5.0894	5.1562	2.8414	3.5064	2.1998	1.0896	1.0944	1.0944
H6	1.0862	2.1237	2.7196	4.0680	5.0894		1.8515	3.0735	2.4627	4.6918	4.8720	5.7928	5.7928
H7	1.0842	2.1244	3.4544	4.6276	5.1562	1.8515		2.4320	3.7474	5.5300	4.5600	5.8700	5.8700
H8	2.0948	1.0870	2.1956	2.7856	2.8414	3.0735	2.4320		3.1225	3.8574	2.1322	3.5759	3.5759
H9	2.6656	2.1652	1.0897	2.0915	3.5064	2.4627	3.7474	3.1225		2.3529	3.8176	4.1272	4.1272
H10	4.5487	3.4577	2.0855	1.0893	2.1998	4.6918	5.5300	3.8574	2.3529		3.1096	2.5512	2.5512
H11	4.0700	2.7634	2.7425	2.1694	1.0896	4.8720	4.5600	2.1322	3.8176	3.1096		1.7659	1.7659
H12	5.1993	3.8817	3.2601	2.1435	1.0944	5.7928	5.8700	3.5759	4.1272	2.5512	1.7659		1.7572
H13	5.1993	3.8817	3.2601	2.1435	1.0944	5.7928	5.8700	3.5759	4.1272	2.5512	1.7659	1.7572

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.959	C1	C2	H8	118.502
C2	C1	H6	121.337	C2	C1	H7	121.567
C2	C3	C4	126.661	C2	C3	H9	115.654
C3	C2	H8	118.539	C3	C4	C5	127.333
C3	C4	H10	117.171	C4	C3	H9	117.685
C4	C5	H11	112.919	C4	C5	H12	110.518
C4	C5	H13	110.518	C5	C4	H10	115.496
H6	C1	H7	117.097	H11	C5	H12	107.919
H11	C5	H13	107.919	H12	C5	H13	106.810

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

using model chemistry: MP2=FULL/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 (1,3-Pentadiene, (Z)-)

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

States and conformations

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