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	hartrees
Energy at 0K	-194.681085
Energy at 298.15K	-194.688471
HF Energy	-193.968796
Nuclear repulsion energy	155.791909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3122	13.70
2	A'	3265	3051	22.78
3	A'	3249	3036	22.57
4	A'	3240	3028	4.97
5	A'	3238	3025	8.30
6	A'	3221	3010	0.56
7	A'	3126	2921	21.84
8	A'	1756	1641	3.19
9	A'	1690	1579	0.78
10	A'	1553	1451	5.54
11	A'	1517	1417	7.87
12	A'	1468	1372	2.96
13	A'	1429	1335	1.49
14	A'	1352	1263	1.19
15	A'	1319	1233	0.69
16	A'	1221	1141	1.14
17	A'	1090	1019	0.06
18	A'	993	928	7.76
19	A'	919	859	1.21
20	A'	622	581	4.31
21	A'	392	366	2.98
22	A'	227	212	0.25
23	A"	3201	2991	17.96
24	A"	1541	1440	5.06
25	A"	1089	1017	1.28
26	A"	1038	970	15.92
27	A"	978	914	3.72
28	A"	915	855	32.59
29	A"	797	745	10.50
30	A"	636	595	20.81
31	A"	347	324	0.09
32	A"	117	109	0.01
33	A"	104	97	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	2.389	0.160	0.000
C2	1.099	-0.215	0.000
C3	0.000	0.739	0.000
C4	-1.315	0.449	0.000
C5	-1.945	-0.909	0.000
H6	2.670	1.204	0.000
H7	3.189	-0.564	0.000
H8	0.863	-1.271	0.000
H9	0.289	1.784	0.000
H10	-2.009	1.282	0.000
H11	-1.213	-1.711	0.000
H12	-2.581	-1.035	0.876
H13	-2.581	-1.035	-0.876

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3424	2.4578	3.7149	4.4629	1.0814	1.0794	2.0911	2.6547	4.5385	4.0579	5.1852	5.1852
C2	1.3424		1.4552	2.5039	3.1221	2.1164	2.1191	1.0824	2.1570	3.4499	2.7538	3.8707	3.8707
C3	2.4578	1.4552		1.3465	2.5487	2.7105	3.4453	2.1873	1.0849	2.0811	2.7332	3.2515	3.2515
C4	3.7149	2.5039	1.3465		1.4967	4.0562	4.6169	2.7754	2.0874	1.0842	2.1621	2.1379	2.1379
C5	4.4629	3.1221	2.5487	1.4967		5.0754	5.1455	2.8311	3.4991	2.1918	1.0857	1.0900	1.0900
H6	1.0814	2.1164	2.7105	4.0562	5.0754		1.8424	3.0641	2.4509	4.6800	4.8550	5.7749	5.7749
H7	1.0794	2.1191	3.4453	4.6169	5.1455	1.8424		2.4311	3.7319	5.5165	4.5489	5.8550	5.8550
H8	2.0911	1.0824	2.1873	2.7754	2.8311	3.0641	2.4311		3.1088	3.8428	2.1220	3.5614	3.5614
H9	2.6547	2.1570	1.0849	2.0874	3.4991	2.4509	3.7319	3.1088		2.3525	3.8042	4.1172	4.1172
H10	4.5385	3.4499	2.0811	1.0842	2.1918	4.6800	5.5165	3.8428	2.3525		3.0969	2.5420	2.5420
H11	4.0579	2.7538	2.7332	2.1621	1.0857	4.8550	4.5489	2.1220	3.8042	3.0969		1.7595	1.7595
H12	5.1852	3.8707	3.2515	2.1379	1.0900	5.7749	5.8550	3.5614	4.1172	2.5420	1.7595		1.7524
H13	5.1852	3.8707	3.2515	2.1379	1.0900	5.7749	5.8550	3.5614	4.1172	2.5420	1.7595	1.7524

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.885	C1	C2	H8	118.782
C2	C1	H6	121.287	C2	C1	H7	121.709
C2	C3	C4	126.639	C2	C3	H9	115.468
C3	C2	H8	118.334	C3	C4	C5	127.306
C3	C4	H10	117.367	C4	C3	H9	117.893
C4	C5	H11	112.733	C4	C5	H12	110.504
C4	C5	H13	110.504	C5	C4	H10	115.327
H6	C1	H7	117.004	H11	C5	H12	107.941
H11	C5	H13	107.941	H12	C5	H13	107.002

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

using model chemistry: MP2=FULL/6-31G**

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=FULL/6-31G**

States and conformations

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