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	hartrees
Energy at 0K	-194.671898
Energy at 298.15K	-194.679206
HF Energy	-193.953345
Nuclear repulsion energy	154.704194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3240	3108
2	A'	3176	3046
3	A'	3159	3031
4	A'	3153	3024
5	A'	3144	3016
6	A'	3132	3005
7	A'	3044	2920
8	A'	1727	1657
9	A'	1662	1594
10	A'	1536	1474
11	A'	1497	1436
12	A'	1459	1399
13	A'	1414	1356
14	A'	1340	1285
15	A'	1309	1256
16	A'	1208	1158
17	A'	1081	1037
18	A'	980	941
19	A'	904	867
20	A'	616	591
21	A'	389	373
22	A'	227	217
23	A"	3099	2973
24	A"	1525	1463
25	A"	1079	1035
26	A"	1002	961
27	A"	951	912
28	A"	889	853
29	A"	782	750
30	A"	623	598
31	A"	343	329
32	A"	117	112
33	A"	103	99

Atom	x (Å)	y (Å)	z (Å)
C1	2.405	0.161	0.000
C2	1.108	-0.216	0.000
C3	0.000	0.741	0.000
C4	-1.322	0.451	0.000
C5	-1.961	-0.913	0.000
H6	2.694	1.213	0.000
H7	3.214	-0.568	0.000
H8	0.869	-1.282	0.000
H9	0.293	1.796	0.000
H10	-2.022	1.292	0.000
H11	-1.225	-1.724	0.000
H12	-2.603	-1.038	0.884
H13	-2.603	-1.038	-0.884

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.3507	2.4741	3.7385	4.4958	1.0911	1.0891	2.1069	2.6709	4.5690	4.0900	5.2250	5.2250
C2	1.3507		1.4645	2.5202	3.1468	2.1349	2.1355	1.0918	2.1707	3.4742	2.7777	3.9025	3.9025
C3	2.4741	1.4645		1.3536	2.5653	2.7351	3.4708	2.2018	1.0943	2.0953	2.7531	3.2746	3.2746
C4	3.7385	2.5202	1.3536		1.5062	4.0879	4.6496	2.7938	2.1015	1.0936	2.1779	2.1540	2.1540
C5	4.4958	3.1468	2.5653	1.5062		5.1173	5.1865	2.8539	3.5236	2.2056	1.0957	1.1000	1.1000
H6	1.0911	2.1349	2.7351	4.0879	5.1173		1.8553	3.0907	2.4709	4.7165	4.8973	5.8231	5.8231
H7	1.0891	2.1355	3.4708	4.6496	5.1865	1.8553		2.4512	3.7578	5.5566	4.5870	5.9030	5.9030
H8	2.1069	1.0918	2.2018	2.7938	2.8539	3.0907	2.4512		3.1307	3.8705	2.1401	3.5915	3.5915
H9	2.6709	2.1707	1.0943	2.1015	3.5236	2.4709	3.7578	3.1307		2.3689	3.8333	4.1470	4.1470
H10	4.5690	3.4742	2.0953	1.0936	2.2056	4.7165	5.5566	3.8705	2.3689		3.1199	2.5586	2.5586
H11	4.0900	2.7777	2.7531	2.1779	1.0957	4.8973	4.5870	2.1401	3.8333	3.1199		1.7759	1.7759
H12	5.2250	3.9025	3.2746	2.1540	1.1000	5.8231	5.9030	3.5915	4.1470	2.5586	1.7759		1.7682
H13	5.2250	3.9025	3.2746	2.1540	1.1000	5.8231	5.9030	3.5915	4.1470	2.5586	1.7759	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	122.959	C1	C2	H8	118.839
C2	C1	H6	121.573	C2	C1	H7	121.788
C2	C3	C4	126.791	C2	C3	H9	115.300
C3	C2	H8	118.202	C3	C4	C5	127.458
C3	C4	H10	117.393	C4	C3	H9	117.909
C4	C5	H11	112.706	C4	C5	H12	110.510
C4	C5	H13	110.510	C5	C4	H10	115.149
H6	C1	H7	116.639	H11	C5	H12	107.962
H11	C5	H13	107.962	H12	C5	H13	106.974

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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