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	hartrees
Energy at 0K	-233.830260
Energy at 298.15K	-233.839897
HF Energy	-232.982058
Nuclear repulsion energy	218.423082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3299	3095	15.45
2	A	3219	3021	7.24
3	A	3215	3017	43.92
4	A	3201	3004	18.52
5	A	3199	3002	17.50
6	A	3188	2992	0.89
7	A	3157	2962	18.77
8	A	3124	2932	18.64
9	A	3098	2906	16.96
10	A	3082	2892	24.65
11	A	1795	1685	1.35
12	A	1765	1656	8.17
13	A	1562	1466	9.48
14	A	1546	1450	1.01
15	A	1543	1448	8.39
16	A	1497	1404	4.77
17	A	1489	1397	3.77
18	A	1461	1371	2.96
19	A	1397	1311	3.11
20	A	1363	1279	1.71
21	A	1335	1252	0.56
22	A	1266	1188	1.56
23	A	1164	1092	1.38
24	A	1126	1057	8.13
25	A	1101	1033	0.75
26	A	1051	986	14.89
27	A	1036	972	1.77
28	A	1007	945	0.21
29	A	998	937	3.16
30	A	953	894	4.07
31	A	941	883	31.88
32	A	904	848	3.19
33	A	752	706	28.10
34	A	621	582	6.11
35	A	568	533	1.92
36	A	541	507	12.05
37	A	401	376	0.33
38	A	310	291	0.01
39	A	215	202	0.06
40	A	128	120	0.03
41	A	107	100	0.23
42	A	23	22	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-2.283	-0.148	-0.766
H2	-3.236	0.371	-0.612
H3	-1.697	0.426	-1.487
H4	-2.514	-1.120	-1.217
C5	-1.566	-0.337	0.541
H6	-2.104	-0.941	1.272
C7	-0.368	0.145	0.893
H8	0.012	-0.104	1.884
C9	0.547	1.007	0.069
H10	0.045	1.360	-0.840
H11	0.790	1.913	0.643
C12	1.840	0.330	-0.320
H13	2.593	0.989	-0.753
C14	2.107	-0.971	-0.187
H15	3.062	-1.385	-0.498
H16	1.387	-1.668	0.231

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	C14	H15	H16
C1		1.0961	1.0922	1.0958	1.5030	2.1943	2.5510	3.5069	3.1694	2.7749	3.9601	4.1747	5.0072	4.5046	5.4929	4.0956
H2	1.0961		1.7720	1.7632	2.1495	2.5596	3.2469	4.1245	3.8968	3.4347	4.4910	5.0848	5.8639	5.5260	6.5393	5.1225
H3	1.0922	1.7720		1.7695	2.1702	3.1055	2.7402	3.8165	2.7918	2.0794	3.5963	3.7252	4.3881	4.2557	5.1864	4.1039
H4	1.0958	1.7632	1.7695		2.1453	2.5287	3.2648	4.1273	3.9437	3.5836	4.8559	4.6761	5.5450	4.7376	5.6285	4.1970
C5	1.5030	2.1495	2.1702	2.1453		1.0903	1.3380	2.0857	2.5482	2.7163	3.2594	3.5753	4.5526	3.7978	4.8571	3.2534
H6	2.1943	2.5596	3.1055	2.5287	1.0903		2.0818	2.3566	3.5027	3.7905	4.1129	4.4384	5.4666	4.4567	5.4783	3.7141
C7	2.5510	3.2469	2.7402	3.2648	1.3380	2.0818		1.0903	1.5037	2.1564	2.1286	2.5264	3.4919	2.9227	4.0056	2.6091
H8	3.5069	4.1245	3.8165	4.1273	2.0857	2.3566	1.0903		2.1943	3.0925	2.4927	2.8958	3.8484	3.0708	4.0763	2.6588
C9	3.1694	3.8968	2.7918	3.9437	2.5482	3.5027	1.5037	2.1943		1.0966	1.0994	1.5105	2.2052	2.5326	3.5172	2.8091
H10	2.7749	3.4347	2.0794	3.5836	2.7163	3.7905	2.1564	3.0925	1.0966		1.7494	2.1339	2.5766	3.1802	4.0934	3.4810
H11	3.9601	4.4910	3.5963	4.8559	3.2594	4.1129	2.1286	2.4927	1.0994	1.7494		2.1297	2.4606	3.2773	4.1643	3.6540
C12	4.1747	5.0848	3.7252	4.6761	3.5753	4.4384	2.5264	2.8958	1.5105	2.1339	2.1297		1.0906	1.3346	2.1134	2.1217
H13	5.0072	5.8639	4.3881	5.5450	4.5526	5.4666	3.4919	3.8484	2.2052	2.5766	2.4606	1.0906		2.0969	2.4333	3.0797
C14	4.5046	5.5260	4.2557	4.7376	3.7978	4.4567	2.9227	3.0708	2.5326	3.1802	3.2773	1.3346	2.0969		1.0860	1.0866
H15	5.4929	6.5393	5.1864	5.6285	4.8571	5.4783	4.0056	4.0763	3.5172	4.0934	4.1643	2.1134	2.4333	1.0860		1.8487
H16	4.0956	5.1225	4.1039	4.1970	3.2534	3.7141	2.6091	2.6588	2.8091	3.4810	3.6540	2.1217	3.0797	1.0866	1.8487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	114.651	C1	C5	C7	127.683
H2	C1	H3	108.147	H2	C1	H4	107.111
H2	C1	C5	110.616	H3	C1	H4	107.944
H3	C1	C5	112.530	H4	C1	C5	110.297
C5	C7	H8	118.026	C5	C7	C9	127.367
H6	C5	C7	117.666	C7	C9	H10	111.084
C7	C9	H11	108.721	C7	C9	C12	113.891
H8	C7	C9	114.607	C9	C12	H13	114.989
C9	C12	C14	125.670	H10	C9	H11	105.613
H10	C9	C12	108.828	H11	C9	C12	108.342
C12	C14	H15	121.302	C12	C14	H16	122.065
H13	C12	C14	119.337	H15	C14	H16	116.632

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

using model chemistry: MP3=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 C6H10 (1,4-Hexadiene, (Z)-)

using model chemistry: MP3=FULL/6-31G*

States and conformations

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