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	hartrees
Energy at 0K	-32.639718
Energy at 298.15K	-32.647043
HF Energy	-32.041525
Nuclear repulsion energy	83.511850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3286	3120	23.74
2	A'	3227	3064	20.75
3	A'	3206	3044	36.41
4	A'	3197	3036	7.67
5	A'	3184	3023	11.40
6	A'	3168	3008	0.42
7	A'	3084	2928	30.43
8	A'	1731	1643	4.19
9	A'	1657	1573	2.68
10	A'	1519	1442	8.84
11	A'	1483	1408	9.42
12	A'	1446	1373	3.47
13	A'	1392	1321	1.07
14	A'	1324	1257	0.87
15	A'	1290	1225	1.01
16	A'	1204	1143	1.21
17	A'	1068	1014	0.09
18	A'	976	926	10.86
19	A'	902	856	0.98
20	A'	606	575	5.04
21	A'	382	362	3.38
22	A'	225	213	0.26
23	A"	3159	3000	27.40
24	A"	1506	1430	9.20
25	A"	1072	1017	5.50
26	A"	1032	980	41.08
27	A"	957	908	0.71
28	A"	839	797	63.37
29	A"	803	762	13.42
30	A"	639	607	45.79
31	A"	347	329	0.30
32	A"	135	128	0.06
33	A"	104	99	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	2.429	0.170	0.000
C2	1.111	-0.220	0.000
C3	0.000	0.755	0.000
C4	-1.344	0.456	0.000
C5	-1.968	-0.932	0.000
H6	2.706	1.231	0.000
H7	3.243	-0.564	0.000
H8	0.876	-1.290	0.000
H9	0.295	1.813	0.000
H10	-2.049	1.299	0.000
H11	-1.215	-1.734	0.000
H12	-2.612	-1.062	0.890
H13	-2.612	-1.062	-0.890

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3750	2.4990	3.7845	4.5332	1.0963	1.0956	2.1321	2.6938	4.6185	4.1113	5.2653	5.2653
C2	1.3750		1.4785	2.5464	3.1599	2.1562	2.1594	1.0955	2.1911	3.5059	2.7747	3.9191	3.9191
C3	2.4990	1.4785		1.3773	2.5921	2.7473	3.5010	2.2252	1.0983	2.1198	2.7699	3.3042	3.3042
C4	3.7845	2.5464	1.3773		1.5210	4.1236	4.6990	2.8242	2.1285	1.0988	2.1935	2.1687	2.1687
C5	4.5332	3.1599	2.5921	1.5210		5.1498	5.2236	2.8662	3.5575	2.2318	1.1007	1.1063	1.1063
H6	1.0963	2.1562	2.7473	4.1236	5.1498		1.8736	3.1152	2.4802	4.7553	4.9152	5.8589	5.8589
H7	1.0956	2.1594	3.5010	4.6990	5.2236	1.8736		2.4758	3.7871	5.6101	4.6081	5.9426	5.9426
H8	2.1321	1.0955	2.2252	2.8242	2.8662	3.1152	2.4758		3.1574	3.9059	2.1368	3.6065	3.6065
H9	2.6938	2.1911	1.0983	2.1285	3.5575	2.4802	3.7871	3.1574		2.3998	3.8552	4.1846	4.1846
H10	4.6185	3.5059	2.1198	1.0988	2.2318	4.7553	5.6101	3.9059	2.3998		3.1455	2.5853	2.5853
H11	4.1113	2.7747	2.7699	2.1935	1.1007	4.9152	4.6081	2.1368	3.8552	3.1455		1.7877	1.7877
H12	5.2653	3.9191	3.3042	2.1687	1.1063	5.8589	5.9426	3.6065	4.1846	2.5853	1.7877		1.7803
H13	5.2653	3.9191	3.3042	2.1687	1.1063	5.8589	5.9426	3.6065	4.1846	2.5853	1.7877	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.229	C1	C2	H8	118.874
C2	C1	H6	121.082	C2	C1	H7	121.450
C2	C3	C4	126.135	C2	C3	H9	115.710
C3	C2	H8	118.897	C3	C4	C5	126.781
C3	C4	H10	117.318	C4	C3	H9	118.155
C4	C5	H11	112.593	C4	C5	H12	110.264
C4	C5	H13	110.264	C5	C4	H10	115.901
H6	C1	H7	117.468	H11	C5	H12	108.194
H11	C5	H13	108.194	H12	C5	H13	107.148

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

using model chemistry: MP2/CEP-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, (Z)-)

using model chemistry: MP2/CEP-31G*

States and conformations

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