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	hartrees
Energy at 0K	-233.917565
Energy at 298.15K	-233.926821
HF Energy	-233.048557
Nuclear repulsion energy	212.993736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3053	55.10
2	A'	3205	3046	0.00
3	A'	3190	3032	0.00
4	A'	3184	3025	24.93
5	A'	3173	3015	5.31
6	A'	3168	3010	0.00
7	A'	3069	2916	35.41
8	A'	3069	2916	15.52
9	A'	1718	1632	0.00
10	A'	1661	1578	9.32
11	A'	1513	1438	0.00
12	A'	1509	1434	19.26
13	A'	1475	1402	0.00
14	A'	1435	1363	9.10
15	A'	1421	1351	0.00
16	A'	1371	1303	4.91
17	A'	1305	1240	0.00
18	A'	1269	1205	0.36
19	A'	1183	1124	0.00
20	A'	1098	1043	0.34
21	A'	1017	967	0.00
22	A'	942	895	23.76
23	A'	932	886	0.00
24	A'	636	604	0.00
25	A'	519	493	13.09
26	A'	276	263	0.00
27	A'	190	180	0.13
28	A"	3135	2979	22.65
29	A"	3135	2979	12.19
30	A"	1499	1424	13.35
31	A"	1499	1424	0.00
32	A"	1062	1009	0.00
33	A"	1060	1008	2.93
34	A"	970	922	0.34
35	A"	932	885	0.00
36	A"	768	730	0.00
37	A"	685	651	66.46
38	A"	446	424	0.00
39	A"	293	279	0.05
40	A"	99	94	0.00
41	A"	91	87	0.74
42	A"	45	43	0.21

Atom	x (Å)	y (Å)	z (Å)
H1	0.929	-2.599	0.000
C2	1.095	-1.522	0.000
H3	-0.966	-1.228	0.000
C4	0.000	-0.729	0.000
H5	0.966	1.228	0.000
C6	0.000	0.729	0.000
H7	-0.929	2.599	0.000
C8	-1.095	1.522	0.000
H9	-2.647	0.004	0.000
H10	-3.050	1.485	0.881
H11	-3.050	1.485	-0.881
C12	-2.533	1.089	0.000
H13	2.647	-0.004	0.000
H14	3.050	-1.485	0.881
H15	3.050	-1.485	-0.881
C16	2.533	-1.089	0.000

	H1	C2	H3	C4	H5	C6	H7	C8	H9	H10	H11	C12	H13	H14	H15	C16
H1		1.0896	2.3394	2.0879	3.8262	3.4547	5.5194	4.5906	4.4232	5.7691	5.7691	5.0577	3.1121	2.5524	2.5524	2.2025
C2	1.0896		2.0822	1.3519	2.7521	2.5028	4.5906	3.7494	4.0414	5.1957	5.1957	4.4692	2.1712	2.1446	2.1446	1.5015
H3	2.3394	2.0822		1.0874	3.1244	2.1820	3.8262	2.7521	2.0838	3.5318	3.5318	2.7961	3.8153	4.1199	4.1199	3.5018
C4	2.0879	1.3519	1.0874		2.1820	1.4577	3.4547	2.5028	2.7469	3.8702	3.8702	3.1173	2.7449	3.2634	3.2634	2.5582
H5	3.8262	2.7521	3.1244	2.1820		1.0874	2.3394	2.0822	3.8153	4.1199	4.1199	3.5018	2.0837	3.5318	3.5318	2.7961
C6	3.4547	2.5028	2.1820	1.4577	1.0874		2.0879	1.3519	2.7450	3.2634	3.2634	2.5582	2.7469	3.8702	3.8702	3.1173
H7	5.5194	4.5906	3.8262	3.4547	2.3394	2.0879		1.0896	3.1121	2.5524	2.5524	2.2025	4.4232	5.7691	5.7691	5.0577
C8	4.5906	3.7494	2.7521	2.5028	2.0822	1.3519	1.0896		2.1712	2.1446	2.1446	1.5015	4.0414	5.1957	5.1957	4.4692
H9	4.4232	4.0414	2.0838	2.7469	3.8153	2.7450	3.1121	2.1712		1.7695	1.7695	1.0909	5.2949	5.9542	5.9542	5.2941
H10	5.7691	5.1957	3.5318	3.8702	4.1199	3.2634	2.5524	2.1446	1.7695		1.7620	1.0957	5.9542	6.7843	7.0094	6.2100
H11	5.7691	5.1957	3.5318	3.8702	4.1199	3.2634	2.5524	2.1446	1.7695	1.7620		1.0957	5.9542	7.0094	6.7843	6.2100
C12	5.0577	4.4692	2.7961	3.1173	3.5018	2.5582	2.2025	1.5015	1.0909	1.0957	1.0957		5.2941	6.2100	6.2100	5.5135
H13	3.1121	2.1712	3.8153	2.7449	2.0837	2.7469	4.4232	4.0414	5.2949	5.9542	5.9542	5.2941		1.7695	1.7695	1.0909
H14	2.5524	2.1446	4.1199	3.2634	3.5318	3.8702	5.7691	5.1957	5.9542	6.7843	7.0094	6.2100	1.7695		1.7620	1.0957
H15	2.5524	2.1446	4.1199	3.2634	3.5318	3.8702	5.7691	5.1957	5.9542	7.0094	6.7843	6.2100	1.7695	1.7620		1.0957
C16	2.2025	1.5015	3.5018	2.5582	2.7961	3.1173	5.0577	4.4692	5.2941	6.2100	6.2100	5.5135	1.0909	1.0957	1.0957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	117.153	H1	C2	C16	115.513
C2	C4	H3	116.802	C2	C4	C6	125.902
C2	C16	H13	112.797	C2	C16	H14	110.354
C2	C16	H15	110.354	H3	C4	C6	117.297
C4	C2	C16	127.335	C4	C6	H5	117.296
C4	C6	C8	125.902	H5	C6	C8	116.802
C6	C8	H7	117.152	C6	C8	C12	127.335
H7	C8	C12	115.513	C8	C12	H9	112.797
C8	C12	H10	110.354	C8	C12	H11	110.354
H9	C12	H10	108.045	H9	C12	H11	108.045
H10	C12	H11	107.038	H13	C16	H14	108.045
H13	C16	H15	108.045	H14	C16	H15	107.038

All results from a given calculation for C₆H₁₀ (2,4-Hexadiene, (Z,Z)-)

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

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 (2,4-Hexadiene, (Z,Z)-)

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

States and conformations

All results from a given calculation for C₆H₁₀ (2,4-Hexadiene, (Z,Z)-)