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	hartrees
Energy at 0K	-233.840590
Energy at 298.15K	-233.849979
HF Energy	-233.015723
Nuclear repulsion energy	206.793806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3187	3036	0.00
2	A_g	3173	3023	0.00
3	A_g	3171	3021	0.00
4	A_g	3070	2924	0.00
5	A_g	1736	1654	0.00
6	A_g	1490	1419	0.00
7	A_g	1412	1345	0.00
8	A_g	1346	1282	0.00
9	A_g	1314	1251	0.00
10	A_g	1205	1148	0.00
11	A_g	1138	1084	0.00
12	A_g	935	890	0.00
13	A_g	434	413	0.00
14	A_g	332	317	0.00
15	A_u	3151	3002	34.26
16	A_u	1475	1405	11.90
17	A_u	1053	1003	0.34
18	A_u	1026	977	56.21
19	A_u	752	716	3.70
20	A_u	238	227	1.35
21	A_u	167	159	0.10
22	A_u	100	96	1.50
23	B_g	3151	3001	0.00
24	B_g	1475	1405	0.00
25	B_g	1055	1005	0.00
26	B_g	967	921	0.00
27	B_g	835	795	0.00
28	B_g	339	323	0.00
29	B_g	192	182	0.00
30	B_u	3188	3036	77.32
31	B_u	3177	3026	15.63
32	B_u	3172	3021	2.59
33	B_u	3070	2924	71.50
34	B_u	1689	1609	4.59
35	B_u	1485	1415	17.63
36	B_u	1405	1339	7.57
37	B_u	1321	1258	2.43
38	B_u	1249	1190	2.48
39	B_u	1103	1050	0.19
40	B_u	948	903	23.93
41	B_u	540	514	0.01
42	B_u	138	132	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.329	-3.184	0.000
C2	0.329	3.184	0.000
C3	0.329	0.652	0.000
C4	-0.329	-0.652	0.000
C5	-0.333	1.835	0.000
C6	0.333	-1.835	0.000
H7	-1.427	-3.087	0.000
H8	1.427	3.087	0.000
H9	-0.035	-3.773	0.887
H10	-0.035	-3.773	-0.887
H11	0.035	3.773	0.887
H12	0.035	3.773	-0.887
H13	1.429	0.657	0.000
H14	-1.429	-0.657	0.000
H15	-1.433	1.816	0.000
H16	1.433	-1.816	0.000

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		6.4018	3.8922	2.5317	5.0194	1.5025	1.1022	6.5125	1.1045	1.1045	7.0223	7.0223	4.2240	2.7563	5.1207	2.2307
C2	6.4018		2.5317	3.8922	1.5025	5.0194	6.5125	1.1022	7.0223	7.0223	1.1045	1.1045	2.7563	4.2240	2.2307	5.1207
C3	3.8922	2.5317		1.4611	1.3562	2.4877	4.1313	2.6711	4.5274	4.5274	3.2573	3.2573	1.1001	2.1921	2.1122	2.7042
C4	2.5317	3.8922	1.4611		2.4877	1.3562	2.6711	4.1313	3.2573	3.2573	4.5274	4.5274	2.1921	1.1001	2.7042	2.1122
C5	5.0194	1.5025	1.3562	2.4877		3.7310	5.0427	2.1602	5.6856	5.6856	2.1621	2.1621	2.1206	2.7224	1.0999	4.0567
C6	1.5025	5.0194	2.4877	1.3562	3.7310		2.1602	5.0427	2.1621	2.1621	5.6856	5.6856	2.7224	2.1206	4.0567	1.0999
H7	1.1022	6.5125	4.1313	2.6711	5.0427	2.1602		6.8023	1.7876	1.7876	7.0697	7.0697	4.7091	2.4306	4.9036	3.1299
H8	6.5125	1.1022	2.6711	4.1313	2.1602	5.0427	6.8023		7.0697	7.0697	1.7876	1.7876	2.4306	4.7091	3.1299	4.9036
H9	1.1045	7.0223	4.5274	3.2573	5.6856	2.1621	1.7876	7.0697		1.7740	7.5455	7.7512	4.7485	3.5271	5.8292	2.6015
H10	1.1045	7.0223	4.5274	3.2573	5.6856	2.1621	1.7876	7.0697	1.7740		7.7512	7.5455	4.7485	3.5271	5.8292	2.6015
H11	7.0223	1.1045	3.2573	4.5274	2.1621	5.6856	7.0697	1.7876	7.5455	7.7512		1.7740	3.5271	4.7485	2.6015	5.8292
H12	7.0223	1.1045	3.2573	4.5274	2.1621	5.6856	7.0697	1.7876	7.7512	7.5455	1.7740		3.5271	4.7485	2.6015	5.8292
H13	4.2240	2.7563	1.1001	2.1921	2.1206	2.7224	4.7091	2.4306	4.7485	4.7485	3.5271	3.5271		3.1458	3.0885	2.4730
H14	2.7563	4.2240	2.1921	1.1001	2.7224	2.1206	2.4306	4.7091	3.5271	3.5271	4.7485	4.7485	3.1458		2.4730	3.0885
H15	5.1207	2.2307	2.1122	2.7042	1.0999	4.0567	4.9036	3.1299	5.8292	5.8292	2.6015	2.6015	3.0885	2.4730		4.6274
H16	2.2307	5.1207	2.7042	2.1122	4.0567	1.0999	3.1299	4.9036	2.6015	2.6015	5.8292	5.8292	2.4730	3.0885	4.6274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	C4	124.580	C1	C6	H16	117.164
C2	C5	C3	124.580	C2	C5	H15	117.164
C3	C4	C6	123.969	C3	C4	H14	117.015
C3	C5	H15	118.255	C4	C3	C5	123.969
C4	C3	H13	117.015	C4	C6	H16	118.255
C5	C2	H8	111.136	C5	C2	H11	111.143
C5	C2	H12	111.143	C5	C3	H13	119.017
C6	C1	H7	111.136	C6	C1	H9	111.143
C6	C1	H10	111.143	C6	C4	H14	119.017
H7	C1	H9	108.204	H7	C1	H10	108.204
H8	C2	H11	108.204	H8	C2	H12	108.204
H9	C1	H10	106.841	H11	C2	H12	106.841

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

using model chemistry: MP2/cc-pVDZ

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: MP2/cc-pVDZ

States and conformations

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