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	hartrees
Energy at 0K	-194.759663
Energy at 298.15K	-194.767103
HF Energy	-193.979378
Nuclear repulsion energy	155.763588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3310	3126	6.90
2	A'	3239	3059	14.83
3	A'	3223	3044	15.33
4	A'	3214	3035	2.80
5	A'	3208	3030	2.69
6	A'	3196	3019	0.19
7	A'	3099	2927	14.88
8	A'	1723	1627	4.02
9	A'	1656	1564	0.91
10	A'	1519	1435	6.73
11	A'	1483	1401	10.44
12	A'	1434	1354	3.70
13	A'	1401	1324	0.84
14	A'	1328	1255	0.84
15	A'	1298	1226	0.91
16	A'	1197	1131	1.28
17	A'	1069	1009	0.02
18	A'	979	924	9.57
19	A'	905	855	1.41
20	A'	612	578	4.68
21	A'	385	364	3.27
22	A'	224	211	0.27
23	A"	3169	2994	10.16
24	A"	1510	1426	5.52
25	A"	1067	1007	1.82
26	A"	1051	993	11.17
27	A"	999	944	1.93
28	A"	937	885	33.72
29	A"	814	769	6.35
30	A"	650	614	21.33
31	A"	358	338	0.09
32	A"	131	124	0.01
33	A"	116	109	0.54

Atom	x (Å)	y (Å)	z (Å)
C1	2.388	0.160	0.000
C2	1.099	-0.213	0.000
C3	0.000	0.738	0.000
C4	-1.314	0.449	0.000
C5	-1.943	-0.910	0.000
H6	2.667	1.208	0.000
H7	3.190	-0.565	0.000
H8	0.863	-1.272	0.000
H9	0.290	1.786	0.000
H10	-2.008	1.285	0.000
H11	-1.212	-1.716	0.000
H12	-2.583	-1.036	0.877
H13	-2.583	-1.036	-0.877

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3418	2.4566	3.7128	4.4609	1.0839	1.0818	2.0920	2.6541	4.5375	4.0588	5.1875	5.1875
C2	1.3418		1.4535	2.5021	3.1207	2.1161	2.1205	1.0846	2.1568	3.4495	2.7560	3.8735	3.8735
C3	2.4566	1.4535		1.3453	2.5477	2.7080	3.4460	2.1874	1.0871	2.0814	2.7367	3.2540	3.2540
C4	3.7128	2.5021	1.3453		1.4974	4.0525	4.6168	2.7749	2.0877	1.0865	2.1674	2.1412	2.1412
C5	4.4609	3.1207	2.5477	1.4974		5.0730	5.1446	2.8291	3.5002	2.1955	1.0885	1.0932	1.0932
H6	1.0839	2.1161	2.7080	4.0525	5.0730		1.8484	3.0664	2.4467	4.6759	4.8569	5.7764	5.7764
H7	1.0818	2.1205	3.4460	4.6168	5.1446	1.8484		2.4322	3.7336	5.5177	4.5495	5.8585	5.8585
H8	2.0920	1.0846	2.1874	2.7749	2.8291	3.0664	2.4322		3.1110	3.8445	2.1213	3.5639	3.5639
H9	2.6541	2.1568	1.0871	2.0877	3.5002	2.4467	3.7336	3.1110		2.3519	3.8099	4.1211	4.1211
H10	4.5375	3.4495	2.0814	1.0865	2.1955	4.6759	5.5177	3.8445	2.3519		3.1047	2.5464	2.5464
H11	4.0588	2.7560	2.7367	2.1674	1.0885	4.8569	4.5495	2.1213	3.8099	3.1047		1.7646	1.7646
H12	5.1875	3.8735	3.2540	2.1412	1.0932	5.7764	5.8585	3.5639	4.1211	2.5464	1.7646		1.7541
H13	5.1875	3.8735	3.2540	2.1412	1.0932	5.7764	5.8585	3.5639	4.1211	2.5464	1.7646	1.7541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.948	C1	C2	H8	118.741
C2	C1	H6	121.103	C2	C1	H7	121.714
C2	C3	C4	126.712	C2	C3	H9	115.432
C3	C2	H8	118.312	C3	C4	C5	127.246
C3	C4	H10	117.318	C4	C3	H9	117.856
C4	C5	H11	112.935	C4	C5	H12	110.519
C4	C5	H13	110.519	C5	C4	H10	115.437
H6	C1	H7	117.184	H11	C5	H12	107.962
H11	C5	H13	107.962	H12	C5	H13	106.699

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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