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	hartrees
Energy at 0K	-233.959539
Energy at 298.15K	-233.968891
HF Energy	-233.038436
Nuclear repulsion energy	207.973389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3177	3009	0.00
2	A_g	3163	2995	0.00
3	A_g	3161	2994	0.00
4	A_g	3068	2906	0.00
5	A_g	1738	1646	0.00
6	A_g	1535	1454	0.00
7	A_g	1452	1375	0.00
8	A_g	1379	1306	0.00
9	A_g	1335	1265	0.00
10	A_g	1215	1151	0.00
11	A_g	1143	1082	0.00
12	A_g	953	903	0.00
13	A_g	439	416	0.00
14	A_g	338	320	0.00
15	A_u	3140	2973	38.51
16	A_u	1517	1436	18.35
17	A_u	1074	1018	0.04
18	A_u	1007	954	82.14
19	A_u	741	701	4.06
20	A_u	223	211	1.44
21	A_u	159	151	0.35
22	A_u	98	93	1.72
23	B_g	3139	2973	0.00
24	B_g	1517	1437	0.00
25	B_g	1077	1020	0.00
26	B_g	951	900	0.00
27	B_g	828	785	0.00
28	B_g	336	319	0.00
29	B_g	180	170	0.00
30	B_u	3178	3010	91.21
31	B_u	3167	3000	11.85
32	B_u	3161	2994	4.00
33	B_u	3068	2906	64.45
34	B_u	1691	1601	5.06
35	B_u	1530	1449	24.79
36	B_u	1448	1371	7.38
37	B_u	1350	1279	2.39
38	B_u	1284	1216	0.79
39	B_u	1116	1057	1.71
40	B_u	960	909	23.06
41	B_u	551	522	0.03
42	B_u	141	134	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.129	-2.979	0.000
C2	-1.129	2.979	0.000
C3	0.000	0.727	0.000
C4	0.000	-0.727	0.000
C5	-1.116	1.482	0.000
C6	1.116	-1.482	0.000
H7	0.115	-3.383	0.000
H8	-0.115	3.383	0.000
H9	1.652	-3.370	0.879
H10	1.652	-3.370	-0.879
H11	-1.652	3.370	0.879
H12	-1.652	3.370	-0.879
H13	0.973	1.222	0.000
H14	-0.973	-1.222	0.000
H15	-2.084	0.980	0.000
H16	2.084	-0.980	0.000

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		6.3726	3.8751	2.5193	4.9945	1.4974	1.0922	6.4829	1.0945	1.0945	6.9870	6.9870	4.2044	2.7402	5.0993	2.2157
C2	6.3726		2.5193	3.8751	1.4974	4.9945	6.4829	1.0922	6.9870	6.9870	1.0945	1.0945	2.7402	4.2044	2.2157	5.0993
C3	3.8751	2.5193		1.4550	1.3468	2.4752	4.1121	2.6580	4.5042	4.5042	3.2376	3.2376	1.0915	2.1789	2.0992	2.6941
C4	2.5193	3.8751	1.4550		2.4752	1.3468	2.6580	4.1121	3.2376	3.2376	4.5042	4.5042	2.1789	1.0915	2.6941	2.0992
C5	4.9945	1.4974	1.3468	2.4752		3.7100	5.0182	2.1484	5.6542	5.6542	2.1503	2.1503	2.1047	2.7079	1.0909	4.0371
C6	1.4974	4.9945	2.4752	1.3468	3.7100		2.1484	5.0182	2.1503	2.1503	5.6542	5.6542	2.7079	2.1047	4.0371	1.0909
H7	1.0922	6.4829	4.1121	2.6580	5.0182	2.1484		6.7699	1.7707	1.7707	7.0351	7.0351	4.6844	2.4192	4.8856	3.1070
H8	6.4829	1.0922	2.6580	4.1121	2.1484	5.0182	6.7699		7.0351	7.0351	1.7707	1.7707	2.4192	4.6844	3.1070	4.8856
H9	1.0945	6.9870	4.5042	3.2376	5.6542	2.1503	1.7707	7.0351		1.7585	7.5054	7.7086	4.7242	3.5034	5.8005	2.5829
H10	1.0945	6.9870	4.5042	3.2376	5.6542	2.1503	1.7707	7.0351	1.7585		7.7086	7.5054	4.7242	3.5034	5.8005	2.5829
H11	6.9870	1.0945	3.2376	4.5042	2.1503	5.6542	7.0351	1.7707	7.5054	7.7086		1.7585	3.5034	4.7242	2.5829	5.8005
H12	6.9870	1.0945	3.2376	4.5042	2.1503	5.6542	7.0351	1.7707	7.7086	7.5054	1.7585		3.5034	4.7242	2.5829	5.8005
H13	4.2044	2.7402	1.0915	2.1789	2.1047	2.7079	4.6844	2.4192	4.7242	4.7242	3.5034	3.5034		3.1242	3.0666	2.4663
H14	2.7402	4.2044	2.1789	1.0915	2.7079	2.1047	2.4192	4.6844	3.5034	3.5034	4.7242	4.7242	3.1242		2.4663	3.0666
H15	5.0993	2.2157	2.0992	2.6941	1.0909	4.0371	4.8856	3.1070	5.8005	5.8005	2.5829	2.5829	3.0666	2.4663		4.6057
H16	2.2157	5.0993	2.6941	2.0992	4.0371	1.0909	3.1070	4.8856	2.5829	2.5829	5.8005	5.8005	2.4663	3.0666	4.6057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	C4	124.606	C1	C6	H16	116.876
C2	C5	C3	124.606	C2	C5	H15	116.876
C3	C4	C6	124.074	C3	C4	H14	116.945
C3	C5	H15	118.518	C4	C3	C5	124.074
C4	C3	H13	116.945	C4	C6	H16	118.518
C5	C2	H8	111.156	C5	C2	H11	111.163
C5	C2	H12	111.163	C5	C3	H13	118.981
C6	C1	H7	111.156	C6	C1	H9	111.163
C6	C1	H10	111.163	C6	C4	H14	118.981
H7	C1	H9	108.145	H7	C1	H10	108.145
H8	C2	H11	108.145	H8	C2	H12	108.145
H9	C1	H10	106.896	H11	C2	H12	106.896

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

using model chemistry: MP2=FULL/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, (E,E)-)

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

States and conformations

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