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	hartrees
Energy at 0K	-194.005683
Energy at 298.15K	-194.013415
HF Energy	-194.005683
Nuclear repulsion energy	156.206997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3367	3059	26.13
2	A'	3325	3020	13.49
3	A'	3305	3003	33.65
4	A'	3282	2981	17.32
5	A'	3279	2979	5.15
6	A'	3257	2959	12.40
7	A'	3160	2871	42.79
8	A'	1882	1710	11.29
9	A'	1800	1635	4.27
10	A'	1610	1462	6.03
11	A'	1587	1441	13.43
12	A'	1541	1400	2.34
13	A'	1502	1365	2.43
14	A'	1428	1297	1.78
15	A'	1385	1259	2.14
16	A'	1274	1157	0.73
17	A'	1143	1039	0.14
18	A'	1020	927	8.78
19	A'	940	854	1.96
20	A'	653	594	5.10
21	A'	414	377	4.90
22	A'	236	214	0.38
23	A"	3201	2908	35.80
24	A"	1601	1454	6.81
25	A"	1167	1060	1.00
26	A"	1137	1033	15.64
27	A"	1102	1001	0.01
28	A"	1056	960	60.18
29	A"	878	797	8.94
30	A"	698	634	33.06
31	A"	396	360	0.45
32	A"	134	122	0.07
33	A"	118	107	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	2.384	0.136	0.000
C2	1.111	-0.224	0.000
C3	0.000	0.736	0.000
C4	-1.297	0.460	0.000
C5	-1.962	-0.888	0.000
H6	2.679	1.172	0.000
H7	3.174	-0.594	0.000
H8	0.871	-1.273	0.000
H9	0.292	1.774	0.000
H10	-1.976	1.298	0.000
H11	-1.259	-1.710	0.000
H12	-2.600	-0.991	0.874
H13	-2.600	-0.991	-0.874

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3226	2.4581	3.6947	4.4648	1.0773	1.0755	2.0674	2.6566	4.5118	4.0838	5.1842	5.1842
C2	1.3226		1.4681	2.5029	3.1440	2.0995	2.0957	1.0761	2.1590	3.4417	2.7975	3.8894	3.8894
C3	2.4581	1.4681		1.3256	2.5465	2.7146	3.4411	2.1892	1.0784	2.0542	2.7507	3.2415	3.2415
C4	3.6947	2.5029	1.3256		1.5027	4.0392	4.5930	2.7748	2.0618	1.0790	2.1700	2.1375	2.1375
C5	4.4648	3.1440	2.5465	1.5027		5.0778	5.1445	2.8589	3.4878	2.1859	1.0819	1.0873	1.0873
H6	1.0773	2.0995	2.7146	4.0392	5.0778		1.8336	3.0411	2.4618	4.6568	4.8802	5.7721	5.7721
H7	1.0755	2.0957	3.4411	4.5930	5.1445	1.8336		2.4013	3.7295	5.4862	4.5714	5.8536	5.8536
H8	2.0674	1.0761	2.1892	2.7748	2.8589	3.0411	2.4013		3.1011	3.8358	2.1742	3.5905	3.5905
H9	2.6566	2.1590	1.0784	2.0618	3.4878	2.4618	3.7295	3.1011		2.3173	3.8135	4.0958	4.0958
H10	4.5118	3.4417	2.0542	1.0790	2.1859	4.6568	5.4862	3.8358	2.3173		3.0924	2.5289	2.5289
H11	4.0838	2.7975	2.7507	2.1700	1.0819	4.8802	4.5714	2.1742	3.8135	3.0924		1.7550	1.7550
H12	5.1842	3.8894	3.2415	2.1375	1.0873	5.7721	5.8536	3.5905	4.0958	2.5289	1.7550		1.7485
H13	5.1842	3.8894	3.2415	2.1375	1.0873	5.7721	5.8536	3.5905	4.0958	2.5289	1.7550	1.7485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.397	C1	C2	H8	118.693
C2	C1	H6	121.707	C2	C1	H7	121.493
C2	C3	C4	127.171	C2	C3	H9	115.093
C3	C2	H8	117.910	C3	C4	C5	128.298
C3	C4	H10	116.992	C4	C3	H9	117.737
C4	C5	H11	113.188	C4	C5	H12	110.198
C4	C5	H13	110.198	C5	C4	H10	114.710
H6	C1	H7	116.800	H11	C5	H12	108.001
H11	C5	H13	108.001	H12	C5	H13	107.030

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	-0.179
2	C	-0.146
3	C	-0.110
4	C	-0.149
5	C	-0.207
6	H	0.100
7	H	0.107
8	H	0.098
9	H	0.092
10	H	0.099
11	H	0.091
12	H	0.102
13	H	0.102

	x	y	z	Total
	-0.445	-0.213	0.000	0.494
CHELPG
AIM
ESP

	x	y	z
x	14.482	1.117	0.000
y	1.117	7.160	0.000
z	0.000	0.000	4.698

<r²>	155.755
(<r²>)^1/2	12.480

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)-)