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	hartrees
Energy at 0K	-194.695051
Energy at 298.15K	-194.702378
HF Energy	-193.953623
Nuclear repulsion energy	154.860181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3243	3148
2	A'	3178	3085
3	A'	3162	3069
4	A'	3155	3063
5	A'	3147	3054
6	A'	3134	3042
7	A'	3046	2957
8	A'	1731	1681
9	A'	1666	1617
10	A'	1537	1492
11	A'	1499	1455
12	A'	1461	1418
13	A'	1416	1375
14	A'	1342	1303
15	A'	1311	1273
16	A'	1209	1174
17	A'	1083	1052
18	A'	982	954
19	A'	906	879
20	A'	617	599
21	A'	390	379
22	A'	228	221
23	A"	3101	3011
24	A"	1527	1482
25	A"	1081	1049
26	A"	1005	976
27	A"	956	928
28	A"	894	868
29	A"	785	762
30	A"	626	607
31	A"	345	335
32	A"	119	115
33	A"	105	102

Atom	x (Å)	y (Å)	z (Å)
C1	2.402	0.160	0.000
C2	1.107	-0.216	0.000
C3	0.000	0.741	0.000
C4	-1.320	0.451	0.000
C5	-1.958	-0.912	0.000
H6	2.691	1.212	0.000
H7	3.211	-0.568	0.000
H8	0.868	-1.281	0.000
H9	0.293	1.795	0.000
H10	-2.020	1.291	0.000
H11	-1.223	-1.723	0.000
H12	-2.601	-1.036	0.884
H13	-2.601	-1.036	-0.884

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3490	2.4713	3.7340	4.4903	1.0907	1.0887	2.1051	2.6681	4.5643	4.0851	5.2194	5.2194
C2	1.3490		1.4629	2.5172	3.1430	2.1331	2.1338	1.0914	2.1688	3.4708	2.7747	3.8986	3.8986
C3	2.4713	1.4629		1.3519	2.5622	2.7324	3.4678	2.1998	1.0939	2.0935	2.7506	3.2715	3.2715
C4	3.7340	2.5172	1.3519		1.5045	4.0835	4.6449	2.7906	2.0998	1.0932	2.1763	2.1523	2.1523
C5	4.4903	3.1430	2.5622	1.5045		5.1117	5.1810	2.8500	3.5203	2.2037	1.0952	1.0996	1.0996
H6	1.0907	2.1331	2.7324	4.0835	5.1117		1.8545	3.0887	2.4680	4.7119	4.8925	5.8175	5.8175
H7	1.0887	2.1338	3.4678	4.6449	5.1810	1.8545		2.4495	3.7547	5.5517	4.5820	5.8974	5.8974
H8	2.1051	1.0914	2.1998	2.7906	2.8500	3.0887	2.4495		3.1286	3.8669	2.1368	3.5875	3.5875
H9	2.6681	2.1688	1.0939	2.0998	3.5203	2.4680	3.7547	3.1286		2.3671	3.8305	4.1437	4.1437
H10	4.5643	3.4708	2.0935	1.0932	2.2037	4.7119	5.5517	3.8669	2.3671		3.1180	2.5568	2.5568
H11	4.0851	2.7747	2.7506	2.1763	1.0952	4.8925	4.5820	2.1368	3.8305	3.1180		1.7750	1.7750
H12	5.2194	3.8986	3.2715	2.1523	1.0996	5.8175	5.8974	3.5875	4.1437	2.5568	1.7750		1.7673
H13	5.2194	3.8986	3.2715	2.1523	1.0996	5.8175	5.8974	3.5875	4.1437	2.5568	1.7750	1.7673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.968	C1	C2	H8	118.846
C2	C1	H6	121.573	C2	C1	H7	121.805
C2	C3	C4	126.788	C2	C3	H9	115.290
C3	C2	H8	118.186	C3	C4	C5	127.459
C3	C4	H10	117.391	C4	C3	H9	117.921
C4	C5	H11	112.730	C4	C5	H12	110.524
C4	C5	H13	110.524	C5	C4	H10	115.150
H6	C1	H7	116.623	H11	C5	H12	107.945
H11	C5	H13	107.945	H12	C5	H13	106.952

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

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/6-31G*

States and conformations

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