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	hartrees
Energy at 0K	-193.992206
Energy at 298.15K	-193.999910
HF Energy	-193.992206
Nuclear repulsion energy	156.200331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3381	3058	34.18
2	A'	3340	3021	15.18
3	A'	3321	3003	41.91
4	A'	3297	2982	26.26
5	A'	3294	2979	4.51
6	A'	3270	2958	15.27
7	A'	3178	2874	48.53
8	A'	1889	1708	10.28
9	A'	1807	1634	4.03
10	A'	1626	1471	6.69
11	A'	1598	1445	12.05
12	A'	1555	1406	2.76
13	A'	1512	1367	3.06
14	A'	1437	1300	2.03
15	A'	1394	1261	1.88
16	A'	1281	1158	0.69
17	A'	1151	1041	0.10
18	A'	1023	926	8.02
19	A'	943	853	1.78
20	A'	655	592	4.85
21	A'	415	376	4.77
22	A'	236	213	0.41
23	A"	3216	2909	41.68
24	A"	1618	1463	7.02
25	A"	1171	1059	1.81
26	A"	1136	1028	15.86
27	A"	1100	995	0.15
28	A"	1051	950	62.76
29	A"	877	793	9.23
30	A"	696	629	34.86
31	A"	395	357	0.51
32	A"	129	117	0.01
33	A"	115	104	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	2.384	0.136	0.000
C2	1.112	-0.224	0.000
C3	0.000	0.735	0.000
C4	-1.296	0.460	0.000
C5	-1.963	-0.887	0.000
H6	2.683	1.171	0.000
H7	3.175	-0.593	0.000
H8	0.872	-1.273	0.000
H9	0.291	1.773	0.000
H10	-1.975	1.299	0.000
H11	-1.263	-1.711	0.000
H12	-2.601	-0.993	0.873
H13	-2.601	-0.993	-0.873

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3226	2.4586	3.6951	4.4659	1.0771	1.0753	2.0665	2.6575	4.5116	4.0887	5.1857	5.1857
C2	1.3226		1.4682	2.5033	3.1452	2.1008	2.0964	1.0760	2.1592	3.4415	2.8022	3.8907	3.8907
C3	2.4586	1.4682		1.3254	2.5465	2.7178	3.4418	2.1896	1.0783	2.0537	2.7535	3.2425	3.2425
C4	3.6951	2.5033	1.3254		1.5027	4.0422	4.5940	2.7763	2.0608	1.0787	2.1715	2.1387	2.1387
C5	4.4659	3.1452	2.5465	1.5027		5.0809	5.1467	2.8616	3.4871	2.1856	1.0812	1.0863	1.0863
H6	1.0771	2.1008	2.7178	4.0422	5.0809		1.8308	3.0412	2.4660	4.6593	4.8864	5.7760	5.7760
H7	1.0753	2.0964	3.4418	4.5940	5.1467	1.8308		2.4012	3.7303	5.4865	4.5775	5.8558	5.8558
H8	2.0665	1.0760	2.1896	2.7763	2.8616	3.0412	2.4012		3.1014	3.8368	2.1804	3.5927	3.5927
H9	2.6575	2.1592	1.0783	2.0608	3.4871	2.4660	3.7303	3.1014		2.3155	3.8159	4.0965	4.0965
H10	4.5116	3.4415	2.0537	1.0787	2.1856	4.6593	5.4865	3.8368	2.3155		3.0929	2.5306	2.5306
H11	4.0887	2.8022	2.7535	2.1715	1.0812	4.8864	4.5775	2.1804	3.8159	3.0929		1.7515	1.7515
H12	5.1857	3.8907	3.2425	2.1387	1.0863	5.7760	5.8558	3.5927	4.0965	2.5306	1.7515		1.7452
H13	5.1857	3.8907	3.2425	2.1387	1.0863	5.7760	5.8558	3.5927	4.0965	2.5306	1.7515	1.7452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.430	C1	C2	H8	118.616
C2	C1	H6	121.861	C2	C1	H7	121.582
C2	C3	C4	127.220	C2	C3	H9	115.108
C3	C2	H8	117.954	C3	C4	C5	128.315
C3	C4	H10	116.979	C4	C3	H9	117.671
C4	C5	H11	113.355	C4	C5	H12	110.357
C4	C5	H13	110.357	C5	C4	H10	114.707
H6	C1	H7	116.557	H11	C5	H12	107.818
H11	C5	H13	107.818	H12	C5	H13	106.882

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	-0.449
2	C	-0.218
3	C	-0.226
4	C	-0.192
5	C	-0.642
6	H	0.217
7	H	0.221
8	H	0.216
9	H	0.209
10	H	0.208
11	H	0.217
12	H	0.220
13	H	0.220

	x	y	z
x	14.348	1.089	0.000
y	1.089	7.056	0.000
z	0.000	0.000	4.543

<r²>	155.878
(<r²>)^1/2	12.485

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

using model chemistry: HF/6-311G*

States and conformations

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