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	hartrees
Energy at 0K	-233.844149
Energy at 298.15K	-233.853569
HF Energy	-232.997064
Nuclear repulsion energy	208.066051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3196	2999	0.00
2	A_g	3186	2990	0.00
3	A_g	3176	2980	0.00
4	A_g	3090	2899	0.00
5	A_g	1808	1696	0.00
6	A_g	1557	1461	0.00
7	A_g	1480	1389	0.00
8	A_g	1405	1318	0.00
9	A_g	1366	1282	0.00
10	A_g	1233	1157	0.00
11	A_g	1152	1080	0.00
12	A_g	969	909	0.00
13	A_g	444	416	0.00
14	A_g	341	320	0.00
15	A_u	3152	2958	44.44
16	A_u	1540	1445	12.86
17	A_u	1100	1032	0.39
18	A_u	1032	968	63.43
19	A_u	764	717	3.21
20	A_u	228	213	1.40
21	A_u	163	153	0.22
22	A_u	100	93	1.13
23	B_g	3152	2958	0.00
24	B_g	1540	1445	0.00
25	B_g	1101	1033	0.00
26	B_g	984	923	0.00
27	B_g	853	800	0.00
28	B_g	343	322	0.00
29	B_g	187	175	0.00
30	B_u	3198	3000	89.09
31	B_u	3189	2992	4.21
32	B_u	3176	2980	16.84
33	B_u	3090	2899	60.46
34	B_u	1756	1648	3.28
35	B_u	1554	1458	15.81
36	B_u	1476	1384	6.21
37	B_u	1378	1293	2.13
38	B_u	1310	1229	1.72
39	B_u	1131	1061	1.42
40	B_u	975	915	17.86
41	B_u	557	523	0.01
42	B_u	143	134	0.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.327	-3.172	0.000
C2	0.327	3.172	0.000
C3	0.328	0.654	0.000
C4	-0.328	-0.654	0.000
C5	-0.328	1.822	0.000
C6	0.328	-1.822	0.000
H7	-1.417	-3.080	0.000
H8	1.417	3.080	0.000
H9	-0.032	-3.753	0.882
H10	-0.032	-3.753	-0.882
H11	0.032	3.753	0.882
H12	0.032	3.753	-0.882
H13	1.420	0.648	0.000
H14	-1.420	-0.648	0.000
H15	-1.420	1.818	0.000
H16	1.420	-1.818	0.000

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		6.3780	3.8818	2.5183	4.9946	1.5004	1.0941	6.4908	1.0962	1.0962	6.9903	6.9903	4.2009	2.7506	5.1089	2.2096
C2	6.3780		2.5183	3.8818	1.5004	4.9946	6.4908	1.0941	6.9903	6.9903	1.0962	1.0962	2.7506	4.2009	2.2096	5.1089
C3	3.8818	2.5183		1.4634	1.3404	2.4763	4.1216	2.6591	4.5086	4.5086	3.2357	3.2357	1.0918	2.1801	2.1003	2.7024
C4	2.5183	3.8818	1.4634		2.4763	1.3404	2.6591	4.1216	3.2357	3.2357	4.5086	4.5086	2.1801	1.0918	2.7024	2.1003
C5	4.9946	1.5004	1.3404	2.4763		3.7034	5.0218	2.1511	5.6524	5.6524	2.1528	2.1528	2.1060	2.7012	1.0913	4.0386
C6	1.5004	4.9946	2.4763	1.3404	3.7034		2.1511	5.0218	2.1528	2.1528	5.6524	5.6524	2.7012	2.1060	4.0386	1.0913
H7	1.0941	6.4908	4.1216	2.6591	5.0218	2.1511		6.7805	1.7743	1.7743	7.0403	7.0403	4.6849	2.4317	4.8983	3.1044
H8	6.4908	1.0941	2.6591	4.1216	2.1511	5.0218	6.7805		7.0403	7.0403	1.7743	1.7743	2.4317	4.6849	3.1044	4.8983
H9	1.0962	6.9903	4.5086	3.2357	5.6524	2.1528	1.7743	7.0403		1.7635	7.5062	7.7106	4.7178	3.5133	5.8088	2.5744
H10	1.0962	6.9903	4.5086	3.2357	5.6524	2.1528	1.7743	7.0403	1.7635		7.7106	7.5062	4.7178	3.5133	5.8088	2.5744
H11	6.9903	1.0962	3.2357	4.5086	2.1528	5.6524	7.0403	1.7743	7.5062	7.7106		1.7635	3.5133	4.7178	2.5744	5.8088
H12	6.9903	1.0962	3.2357	4.5086	2.1528	5.6524	7.0403	1.7743	7.7106	7.5062	1.7635		3.5133	4.7178	2.5744	5.8088
H13	4.2009	2.7506	1.0918	2.1801	2.1060	2.7012	4.6849	2.4317	4.7178	4.7178	3.5133	3.5133		3.1222	3.0713	2.4666
H14	2.7506	4.2009	2.1801	1.0918	2.7012	2.1060	2.4317	4.6849	3.5133	3.5133	4.7178	4.7178	3.1222		2.4666	3.0713
H15	5.1089	2.2096	2.1003	2.7024	1.0913	4.0386	4.8983	3.1044	5.8088	5.8088	2.5744	2.5744	3.0713	2.4666		4.6137
H16	2.2096	5.1089	2.7024	2.1003	4.0386	1.0913	3.1044	4.8983	2.5744	2.5744	5.8088	5.8088	2.4666	3.0713	4.6137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	C4	124.783	C1	C6	H16	116.093
C2	C5	C3	124.783	C2	C5	H15	116.093
C3	C4	C6	123.999	C3	C4	H14	116.371
C3	C5	H15	119.124	C4	C3	C5	123.999
C4	C3	H13	116.371	C4	C6	H16	119.124
C5	C2	H8	111.046	C5	C2	H11	111.059
C5	C2	H12	111.059	C5	C3	H13	119.629
C6	C1	H7	111.046	C6	C1	H9	111.059
C6	C1	H10	111.059	C6	C4	H14	119.629
H7	C1	H9	108.210	H7	C1	H10	108.210
H8	C2	H11	108.210	H8	C2	H12	108.210
H9	C1	H10	107.106	H11	C2	H12	107.106

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

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 (2,4-Hexadiene, (E,E)-)

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

States and conformations

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