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	hartrees
Energy at 0K	-39.419312
Energy at 298.15K	-39.428595
HF Energy	-38.695852
Nuclear repulsion energy	114.920541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3061	84.36
2	A'	3219	3056	0.00
3	A'	3205	3043	0.00
4	A'	3200	3038	19.33
5	A'	3174	3013	14.02
6	A'	3171	3010	0.00
7	A'	3083	2927	65.99
8	A'	3083	2927	0.04
9	A'	1734	1647	0.00
10	A'	1670	1586	8.49
11	A'	1519	1443	0.00
12	A'	1515	1438	21.80
13	A'	1479	1404	0.00
14	A'	1453	1379	9.23
15	A'	1439	1366	0.00
16	A'	1369	1300	5.56
17	A'	1309	1243	0.00
18	A'	1268	1203	0.95
19	A'	1192	1132	0.00
20	A'	1105	1049	0.31
21	A'	1023	971	0.00
22	A'	943	896	26.77
23	A'	937	889	0.00
24	A'	630	599	0.00
25	A'	512	486	14.54
26	A'	277	263	0.00
27	A'	193	183	0.26
28	A"	3158	2998	55.69
29	A"	3158	2998	0.00
30	A"	1506	1430	17.85
31	A"	1506	1430	0.00
32	A"	1070	1016	0.00
33	A"	1070	1016	4.40
34	A"	977	927	2.48
35	A"	941	893	0.00
36	A"	809	768	0.00
37	A"	712	676	116.15
38	A"	450	427	0.00
39	A"	310	294	0.07
40	A"	99	94	0.00
41	A"	91	86	1.00
42	A"	62	59	0.27

Atom	x (Å)	y (Å)	z (Å)
H1	0.966	-2.625	0.000
C2	1.123	-1.537	0.000
H3	-0.971	-1.245	0.000
C4	-0.000	-0.738	0.000
H5	0.971	1.245	0.000
C6	0.000	0.738	0.000
H7	-0.966	2.625	0.000
C8	-1.123	1.537	0.000
H9	-2.672	-0.017	0.000
H10	-3.100	1.473	0.890
H11	-3.100	1.473	-0.890
C12	-2.574	1.079	0.000
H13	2.672	0.017	0.000
H14	3.100	-1.473	0.890
H15	3.100	-1.473	-0.890
C16	2.574	-1.079	0.000

	H1	C2	H3	C4	H5	C6	H7	C8	H9	H10	H11	C12	H13	H14	H15	C16
H1		1.0992	2.3786	2.1198	3.8705	3.4997	5.5948	4.6576	4.4770	5.8417	5.8417	5.1242	3.1451	2.5830	2.5830	2.2304
C2	1.0992		2.1149	1.3785	2.7868	2.5380	4.6576	3.8081	4.0891	5.2625	5.2625	4.5297	2.1942	2.1687	2.1687	1.5211
H3	2.3786	2.1149		1.0955	3.1585	2.2088	3.8706	2.7868	2.0984	3.5659	3.5659	2.8237	3.8560	4.1736	4.1736	3.5491
C4	2.1198	1.3785	1.0955		2.2088	1.4770	3.4997	2.5380	2.7681	3.9109	3.9109	3.1512	2.7771	3.3079	3.3079	2.5964
H5	3.8705	2.7868	3.1585	2.2088		1.0955	2.3786	2.1149	3.8560	4.1736	4.1736	3.5491	2.0984	3.5659	3.5659	2.8236
C6	3.4997	2.5380	2.2088	1.4770	1.0955		2.1198	1.3785	2.7771	3.3079	3.3079	2.5965	2.7681	3.9109	3.9109	3.1512
H7	5.5948	4.6576	3.8706	3.4997	2.3786	2.1198		1.0992	3.1451	2.5830	2.5830	2.2304	4.4770	5.8417	5.8417	5.1241
C8	4.6576	3.8081	2.7868	2.5380	2.1149	1.3785	1.0992		2.1942	2.1687	2.1687	1.5211	4.0890	5.2625	5.2625	4.5296
H9	4.4770	4.0891	2.0984	2.7681	3.8560	2.7771	3.1451	2.1942		1.7877	1.7877	1.1005	5.3449	6.0195	6.0195	5.3529
H10	5.8417	5.2625	3.5659	3.9109	4.1736	3.3079	2.5830	2.1687	1.7877		1.7802	1.1065	6.0195	6.8647	7.0918	6.2851
H11	5.8417	5.2625	3.5659	3.9109	4.1736	3.3079	2.5830	2.1687	1.7877	1.7802		1.1065	6.0195	7.0918	6.8647	6.2851
C12	5.1242	4.5297	2.8237	3.1512	3.5491	2.5965	2.2304	1.5211	1.1005	1.1065	1.1065		5.3529	6.2851	6.2851	5.5822
H13	3.1451	2.1942	3.8560	2.7771	2.0984	2.7681	4.4770	4.0890	5.3449	6.0195	6.0195	5.3529		1.7877	1.7877	1.1005
H14	2.5830	2.1687	4.1736	3.3079	3.5659	3.9109	5.8417	5.2625	6.0195	6.8647	7.0918	6.2851	1.7877		1.7802	1.1065
H15	2.5830	2.1687	4.1736	3.3079	3.5659	3.9109	5.8417	5.2625	6.0195	7.0918	6.8647	6.2851	1.7877	1.7802		1.1065
C16	2.2304	1.5211	3.5491	2.5964	2.8236	3.1512	5.1241	4.5296	5.3529	6.2851	6.2851	5.5822	1.1005	1.1065	1.1065

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	117.193	H1	C2	C16	115.744
C2	C4	H3	117.027	C2	C4	C6	125.415
C2	C16	H13	112.652	C2	C16	H14	110.251
C2	C16	H15	110.251	H3	C4	C6	117.558
C4	C2	C16	127.063	C4	C6	H5	117.558
C4	C6	C8	125.416	H5	C6	C8	117.027
C6	C8	H7	117.193	C6	C8	C12	127.063
H7	C8	C12	115.744	C8	C12	H9	112.652
C8	C12	H10	110.250	C8	C12	H11	110.250
H9	C12	H10	108.193	H9	C12	H11	108.193
H10	C12	H11	107.115	H13	C16	H14	108.193
H13	C16	H15	108.193	H14	C16	H15	107.114

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

using model chemistry: MP2/CEP-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 (2,4-Hexadiene, (Z,Z)-)

using model chemistry: MP2/CEP-31G*

States and conformations

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