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	hartrees
Energy at 0K	-233.946356
Energy at 298.15K	-233.955971
HF Energy	-233.023323
Nuclear repulsion energy	221.098406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3286	3113	10.75
2	A	3201	3032	37.75
3	A	3192	3023	12.63
4	A	3188	3019	9.88
5	A	3174	3006	21.13
6	A	3172	3005	0.27
7	A	3144	2978	15.07
8	A	3112	2947	14.33
9	A	3075	2913	19.68
10	A	3072	2909	23.08
11	A	1723	1632	1.88
12	A	1702	1612	8.17
13	A	1543	1461	10.22
14	A	1524	1443	3.56
15	A	1518	1437	16.22
16	A	1464	1386	6.52
17	A	1455	1378	6.02
18	A	1427	1351	3.89
19	A	1371	1298	1.16
20	A	1333	1262	2.11
21	A	1301	1232	0.87
22	A	1255	1189	1.32
23	A	1142	1081	1.31
24	A	1107	1049	7.18
25	A	1076	1019	1.44
26	A	1029	974	23.88
27	A	1019	965	1.85
28	A	988	936	1.34
29	A	967	916	0.28
30	A	940	890	4.21
31	A	902	854	37.54
32	A	884	837	1.83
33	A	739	700	35.53
34	A	629	596	8.52
35	A	554	525	14.14
36	A	534	506	6.64
37	A	395	374	0.45
38	A	301	285	0.04
39	A	214	203	0.25
40	A	125	118	0.02
41	A	103	98	0.20
42	A	44	42	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	1.907	0.787	-0.569
H2	2.816	0.450	-1.078
H3	1.114	0.892	-1.310
H4	2.118	1.782	-0.167
C5	1.527	-0.154	0.536
H6	2.212	-0.202	1.382
C7	0.432	-0.931	0.571
H8	0.266	-1.543	1.456
C9	-0.622	-1.002	-0.499
H10	-0.171	-0.894	-1.492
H11	-1.071	-2.002	-0.493
C12	-1.728	0.018	-0.355
H13	-2.582	-0.119	-1.018
C14	-1.724	1.057	0.488
H15	-2.558	1.749	0.522
H16	-0.895	1.233	1.166

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	C14	H15	H16
C1		1.0948	1.0902	1.0938	1.5001	2.2085	2.5348	3.4958	3.0977	2.8274	4.0799	3.7212	4.6015	3.7909	4.6956	3.3261
H2	1.0948		1.7735	1.7579	2.1520	2.6153	3.2108	4.1103	3.7762	3.3014	4.6322	4.6212	5.4285	4.8403	5.7552	4.4071
H3	1.0902	1.7735		1.7622	2.1619	3.1065	2.7073	3.7819	2.6944	2.2083	3.7172	3.1233	3.8436	3.3640	4.1922	3.2074
H4	1.0938	1.7579	1.7622		2.1424	2.5188	3.2781	4.1373	3.9195	3.7624	4.9587	4.2352	5.1409	3.9639	4.7262	3.3404
C5	1.5001	2.1520	2.1619	2.1424		1.0894	1.3433	2.0895	2.5309	2.7468	3.3499	3.3790	4.3935	3.4688	4.5061	2.8615
H6	2.2085	2.6153	3.1065	2.5188	1.0894		2.0874	2.3642	3.4934	3.7969	4.1868	4.3114	5.3621	4.2275	5.2247	3.4298
C7	2.5348	3.2108	2.7073	3.2781	1.3433	2.0874		1.0887	1.5029	2.1498	2.1300	2.5343	3.5028	2.9331	4.0152	2.6075
H8	3.4958	4.1103	3.7819	4.1373	2.0895	2.3642	1.0887		2.2138	3.0502	2.4077	3.1133	4.0327	3.4136	4.4366	3.0233
C9	3.0977	3.7762	2.6944	3.9195	2.5309	3.4934	1.5029	2.2138		1.0966	1.0965	1.5111	2.2121	2.5347	3.5151	2.8000
H10	2.8274	3.3014	2.2083	3.7624	2.7468	3.7969	2.1498	3.0502	1.0966		1.7419	2.1330	2.5772	3.1845	4.0917	3.4811
H11	4.0799	4.6322	3.7172	4.9587	3.3499	4.1868	2.1300	2.4077	1.0965	1.7419		2.1287	2.4714	3.2782	4.1610	3.6402
C12	3.7212	4.6212	3.1233	4.2352	3.3790	4.3114	2.5343	3.1133	1.5111	2.1330	2.1287		1.0900	1.3383	2.1107	2.1176
H13	4.6015	5.4285	3.8436	5.1409	4.3935	5.3621	3.5028	4.0327	2.2121	2.5772	2.4714	1.0900		2.0950	2.4210	3.0731
C14	3.7909	4.8403	3.3640	3.9639	3.4688	4.2275	2.9331	3.4136	2.5347	3.1845	3.2782	1.3383	2.0950		1.0846	1.0844
H15	4.6956	5.7552	4.1922	4.7262	4.5061	5.2247	4.0152	4.4366	3.5151	4.0917	4.1610	2.1107	2.4210	1.0846		1.8558
H16	3.3261	4.4071	3.2074	3.3404	2.8615	3.4298	2.6075	3.0233	2.8000	3.4811	3.6402	2.1176	3.0731	1.0844	1.8558

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	116.145	C1	C5	C7	126.036
H2	C1	H3	108.513	H2	C1	H4	106.871
H2	C1	C5	111.094	H3	C1	H4	107.580
H3	C1	C5	112.186	H4	C1	C5	110.387
C5	C7	H8	118.069	C5	C7	C9	125.465
H6	C5	C7	117.819	C7	C9	H10	110.615
C7	C9	H11	109.057	C7	C9	C12	114.453
H8	C7	C9	116.439	C9	C12	H13	115.567
C9	C12	C14	125.527	H10	C9	H11	105.173
H10	C9	C12	108.717	H11	C9	C12	108.396
C12	C14	H15	120.831	C12	C14	H16	121.512
H13	C12	C14	118.898	H15	C14	H16	117.655

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C6H10 (1,4-Hexadiene, (Z)-)

using model chemistry: MP2=FULL/6-311G*

States and conformations

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