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	hartrees
Energy at 0K	-39.141881
Energy at 298.15K	-39.151424
HF Energy	-38.606455
Nuclear repulsion energy	118.995057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3202	3125	28.80
2	A	3116	3041	62.56
3	A	3104	3029	25.90
4	A	3088	3014	31.64
5	A	3082	3008	29.07
6	A	3076	3002	3.31
7	A	3048	2975	31.77
8	A	3020	2948	26.95
9	A	2969	2898	37.72
10	A	2963	2892	35.10
11	A	1651	1612	2.61
12	A	1633	1594	8.38
13	A	1535	1498	11.59
14	A	1521	1484	3.12
15	A	1502	1466	8.89
16	A	1460	1425	2.44
17	A	1458	1423	5.54
18	A	1422	1387	3.42
19	A	1370	1337	1.58
20	A	1323	1291	1.68
21	A	1295	1264	1.19
22	A	1238	1209	1.80
23	A	1135	1108	1.84
24	A	1103	1076	6.16
25	A	1076	1050	3.14
26	A	1015	990	15.13
27	A	997	973	10.19
28	A	975	952	4.04
29	A	926	904	0.46
30	A	910	888	4.88
31	A	850	830	3.50
32	A	828	808	43.43
33	A	727	710	37.21
34	A	626	611	8.97
35	A	543	530	14.17
36	A	522	509	2.72
37	A	378	369	0.57
38	A	285	278	0.03
39	A	209	204	0.15
40	A	122	119	0.01
41	A	98	96	0.20
42	A	55	53	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-1.892	0.789	0.567
H2	-2.810	0.485	1.103
H3	-1.074	0.883	1.298
H4	-2.075	1.790	0.138
C5	-1.541	-0.215	-0.541
H6	-2.261	-0.291	-1.366
C7	-0.423	-1.013	-0.575
H8	-0.281	-1.675	-1.438
C9	0.679	-1.044	0.497
H10	0.234	-0.937	1.506
H11	1.163	-2.038	0.477
C12	1.775	0.035	0.317
H13	2.678	-0.105	0.926
C14	1.683	1.130	-0.502
H15	2.502	1.850	-0.569
H16	0.805	1.309	-1.130

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	C14	H15	H16
C1		1.1050	1.1013	1.1046	1.5354	2.2452	2.5901	3.5621	3.1582	2.8950	4.1633	3.7517	4.6707	3.7468	4.6613	3.2290
H2	1.1050		1.7913	1.7817	2.1908	2.6459	3.2792	4.1855	3.8567	3.3838	4.7475	4.6728	5.5222	4.8137	5.7337	4.3279
H3	1.1013	1.7913		1.7810	2.1921	3.1446	2.7434	3.8289	2.7251	2.2506	3.7696	3.1299	3.8979	3.3018	4.1489	3.1000
H4	1.1046	1.7817	1.7810		2.1824	2.5742	3.3305	4.2080	3.9677	3.8261	5.0252	4.2342	5.1772	3.8681	4.6316	3.1832
C5	1.5354	2.1908	2.1921	2.1824		1.0980	1.3743	2.1278	2.5875	2.8043	3.4168	3.4341	4.4684	3.4932	4.5404	2.8590
H6	2.2452	2.6459	3.1446	2.5742	1.0980		2.1275	2.4172	3.5616	3.8595	4.2634	4.3848	5.4484	4.2799	5.2829	3.4665
C7	2.5901	3.2792	2.7434	3.3305	1.3743	2.1275		1.0973	1.5379	2.1834	2.1618	2.5932	3.5629	3.0055	4.0938	2.6849
H8	3.5621	4.1855	3.8289	4.2080	2.1278	2.4172	1.0973		2.2507	3.0788	2.4260	3.1983	4.0996	3.5493	4.5747	3.1899
C9	3.1582	3.8567	2.7251	3.9677	2.5875	3.5616	1.5379	2.2507		1.1074	1.1061	1.5483	2.2497	2.5946	3.5831	2.8632
H10	2.8950	3.3838	2.2506	3.8261	2.8043	3.8595	2.1834	3.0788	1.1074		1.7701	2.1749	2.6455	3.2251	4.1493	3.5093
H11	4.1633	4.7475	3.7696	5.0252	3.4168	4.2634	2.1618	2.4260	1.1061	1.7701		2.1677	2.4967	3.3568	4.2440	3.7300
C12	3.7517	4.6728	3.1299	4.2342	3.4341	4.3848	2.5932	3.1983	1.5483	2.1749	2.1677		1.0986	1.3706	2.1471	2.1575
H13	4.6707	5.5222	3.8979	5.1772	4.4684	5.4484	3.5629	4.0996	2.2497	2.6455	2.4967	1.0986		2.1348	2.4681	3.1198
C14	3.7468	4.8137	3.3018	3.8681	3.4932	4.2799	3.0055	3.5493	2.5946	3.2251	3.3568	1.3706	2.1348		1.0933	1.0933
H15	4.6613	5.7337	4.1489	4.6316	4.5404	5.2829	4.0938	4.5747	3.5831	4.1493	4.2440	2.1471	2.4681	1.0933		1.8675
H16	3.2290	4.3279	3.1000	3.1832	2.8590	3.4665	2.6849	3.1899	2.8632	3.5093	3.7300	2.1575	3.1198	1.0933	1.8675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	115.993	C1	C5	C7	125.689
H2	C1	H3	108.562	H2	C1	H4	107.485
H2	C1	C5	111.091	H3	C1	H4	107.685
H3	C1	C5	111.414	H4	C1	C5	110.454
C5	C7	H8	118.396	C5	C7	C9	125.273
H6	C5	C7	118.317	C7	C9	H10	110.196
C7	C9	H11	108.595	C7	C9	C12	114.337
H8	C7	C9	116.321	C9	C12	H13	115.359
C9	C12	C14	125.368	H10	C9	H11	106.203
H10	C9	C12	108.828	H11	C9	C12	108.353
C12	C14	H15	120.834	C12	C14	H16	121.840
H13	C12	C14	119.258	H15	C14	H16	117.311

All results from a given calculation for C₆H₁₀ (1,4-Hexadiene, (Z)-)

using model chemistry: MP2/CEP-121G

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 C6H10 (1,4-Hexadiene, (Z)-)

using model chemistry: MP2/CEP-121G

States and conformations

All results from a given calculation for C₆H₁₀ (1,4-Hexadiene, (Z)-)