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	hartrees
Energy at 0K	-194.527784
Energy at 298.15K	-194.535331
HF Energy	-193.956065
Nuclear repulsion energy	155.985906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3359	3103	17.79
2	A'	3301	3049	15.78
3	A'	3283	3032	32.91
4	A'	3272	3022	6.47
5	A'	3263	3014	9.32
6	A'	3253	3005	1.65
7	A'	3154	2914	26.64
8	A'	1853	1711	5.77
9	A'	1774	1639	1.53
10	A'	1588	1466	6.35
11	A'	1556	1437	9.88
12	A'	1516	1400	3.01
13	A'	1474	1361	1.28
14	A'	1398	1291	1.36
15	A'	1363	1259	0.99
16	A'	1254	1158	1.05
17	A'	1122	1037	0.03
18	A'	1014	937	8.33
19	A'	938	866	0.95
20	A'	640	591	4.85
21	A'	405	374	3.74
22	A'	233	216	0.32
23	A"	3211	2966	22.70
24	A"	1577	1456	6.35
25	A"	1131	1044	1.14
26	A"	1083	1001	14.37
27	A"	1041	961	1.85
28	A"	992	917	48.17
29	A"	842	778	9.36
30	A"	668	617	26.67
31	A"	374	345	0.19
32	A"	124	114	0.04
33	A"	109	100	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	2.385	0.145	0.000
C2	1.106	-0.221	0.000
C3	0.000	0.736	0.000
C4	-1.304	0.456	0.000
C5	-1.955	-0.895	0.000
H6	2.678	1.186	0.000
H7	3.184	-0.581	0.000
H8	0.865	-1.275	0.000
H9	0.295	1.779	0.000
H10	-1.992	1.293	0.000
H11	-1.238	-1.711	0.000
H12	-2.594	-1.009	0.877
H13	-2.594	-1.009	-0.877

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3301	2.4571	3.7016	4.4625	1.0817	1.0799	2.0803	2.6532	4.5253	4.0706	5.1856	5.1856
C2	1.3301		1.4628	2.5031	3.1342	2.1100	2.1090	1.0816	2.1587	3.4486	2.7775	3.8835	3.8835
C3	2.4571	1.4628		1.3335	2.5458	2.7159	3.4459	2.1897	1.0841	2.0687	2.7423	3.2472	3.2472
C4	3.7016	2.5031	1.3335		1.4992	4.0485	4.6061	2.7749	2.0754	1.0839	2.1675	2.1401	2.1401
C5	4.4625	3.1342	2.5458	1.4992		5.0791	5.1485	2.8454	3.4945	2.1875	1.0862	1.0910	1.0910
H6	1.0817	2.1100	2.7159	4.0485	5.0791		1.8383	3.0574	2.4563	4.6721	4.8714	5.7782	5.7782
H7	1.0799	2.1090	3.4459	4.6061	5.1485	1.8383		2.4208	3.7310	5.5053	4.5642	5.8599	5.8599
H8	2.0803	1.0816	2.1897	2.7749	2.8454	3.0574	2.4208		3.1076	3.8418	2.1476	3.5782	3.5782
H9	2.6532	2.1587	1.0841	2.0754	3.4945	2.4563	3.7310	3.1076		2.3385	3.8119	4.1099	4.1099
H10	4.5253	3.4486	2.0687	1.0839	2.1875	4.6721	5.5053	3.8418	2.3385		3.0966	2.5357	2.5357
H11	4.0706	2.7775	2.7423	2.1675	1.0862	4.8714	4.5642	2.1476	3.8119	3.0966		1.7604	1.7604
H12	5.1856	3.8835	3.2472	2.1401	1.0910	5.7782	5.8599	3.5782	4.1099	2.5357	1.7604		1.7534
H13	5.1856	3.8835	3.2472	2.1401	1.0910	5.7782	5.8599	3.5782	4.1099	2.5357	1.7604	1.7534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.154	C1	C2	H8	118.857
C2	C1	H6	121.718	C2	C1	H7	121.768
C2	C3	C4	126.986	C2	C3	H9	115.091
C3	C2	H8	117.988	C3	C4	C5	127.886
C3	C4	H10	117.314	C4	C3	H9	117.923
C4	C5	H11	112.962	C4	C5	H12	110.440
C4	C5	H13	110.440	C5	C4	H10	114.800
H6	C1	H7	116.513	H11	C5	H12	107.911
H11	C5	H13	107.911	H12	C5	H13	106.947

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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