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	hartrees
Energy at 0K	-232.241240
Energy at 298.15K	-232.250634
HF Energy	-231.701710
Nuclear repulsion energy	206.596153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3160	3006	0.00
2	A_g	3142	2989	0.00
3	A_g	3130	2978	0.00
4	A_g	3071	2921	0.00
5	A_g	1708	1625	0.00
6	A_g	1598	1520	0.00
7	A_g	1493	1420	0.00
8	A_g	1419	1350	0.00
9	A_g	1373	1306	0.00
10	A_g	1208	1149	0.00
11	A_g	1085	1032	0.00
12	A_g	970	923	0.00
13	A_g	441	420	0.00
14	A_g	342	326	0.00
15	A_u	3131	2978	40.56
16	A_u	1584	1507	12.97
17	A_u	1126	1071	0.28
18	A_u	1031	980	79.03
19	A_u	758	721	3.24
20	A_u	218	207	1.95
21	A_u	156	149	0.32
22	A_u	96	91	1.30
23	B_g	3131	2978	0.00
24	B_g	1584	1507	0.00
25	B_g	1127	1073	0.00
26	B_g	984	936	0.00
27	B_g	845	804	0.00
28	B_g	340	324	0.00
29	B_g	179	171	0.00
30	B_u	3160	3006	74.18
31	B_u	3142	2989	10.19
32	B_u	3137	2984	12.59
33	B_u	3071	2921	45.14
34	B_u	1671	1590	2.43
35	B_u	1592	1514	14.22
36	B_u	1492	1420	7.14
37	B_u	1392	1324	2.22
38	B_u	1336	1270	0.90
39	B_u	1123	1068	9.46
40	B_u	943	897	11.53
41	B_u	562	535	0.04
42	B_u	144	137	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	1.125	-3.011	0.000
C2	-1.125	3.011	0.000
C3	0.000	0.736	0.000
C4	0.000	-0.736	0.000
C5	-1.117	1.493	0.000
C6	1.117	-1.493	0.000
H7	0.100	-3.398	0.000
H8	-0.100	3.398	0.000
H9	1.642	-3.400	0.886
H10	1.642	-3.400	-0.886
H11	-1.642	3.400	0.886
H12	-1.642	3.400	-0.886
H13	0.977	1.226	0.000
H14	-0.977	-1.226	0.000
H15	-2.093	1.004	0.000
H16	2.093	-1.004	0.000

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		6.4296	3.9123	2.5389	5.0316	1.5185	1.0961	6.5251	1.0969	1.0969	7.0394	7.0394	4.2396	2.7585	5.1460	2.2284
C2	6.4296		2.5389	3.9123	1.5185	5.0316	6.5251	1.0961	7.0394	7.0394	1.0969	1.0969	2.7585	4.2396	2.2284	5.1460
C3	3.9123	2.5389		1.4710	1.3496	2.4927	4.1345	2.6641	4.5372	4.5372	3.2530	3.2530	1.0932	2.1911	2.1101	2.7216
C4	2.5389	3.9123	1.4710		2.4927	1.3496	2.6641	4.1345	3.2530	3.2530	4.5372	4.5372	2.1911	1.0932	2.7216	2.1101
C5	5.0316	1.5185	1.3496	2.4927		3.7292	5.0397	2.1596	5.6869	5.6869	2.1677	2.1677	2.1113	2.7221	1.0914	4.0669
C6	1.5185	5.0316	2.4927	1.3496	3.7292		2.1596	5.0397	2.1677	2.1677	5.6869	5.6869	2.7221	2.1113	4.0669	1.0914
H7	1.0961	6.5251	4.1345	2.6641	5.0397	2.1596		6.7984	1.7786	1.7786	7.0733	7.0733	4.7059	2.4244	4.9177	3.1150
H8	6.5251	1.0961	2.6641	4.1345	2.1596	5.0397	6.7984		7.0733	7.0733	1.7786	1.7786	2.4244	4.7059	3.1150	4.9177
H9	1.0969	7.0394	4.5372	3.2530	5.6869	2.1677	1.7786	7.0733		1.7722	7.5519	7.7571	4.7567	3.5176	5.8423	2.5944
H10	1.0969	7.0394	4.5372	3.2530	5.6869	2.1677	1.7786	7.0733	1.7722		7.7571	7.5519	4.7567	3.5176	5.8423	2.5944
H11	7.0394	1.0969	3.2530	4.5372	2.1677	5.6869	7.0733	1.7786	7.5519	7.7571		1.7722	3.5176	4.7567	2.5944	5.8423
H12	7.0394	1.0969	3.2530	4.5372	2.1677	5.6869	7.0733	1.7786	7.7571	7.5519	1.7722		3.5176	4.7567	2.5944	5.8423
H13	4.2396	2.7585	1.0932	2.1911	2.1113	2.7221	4.7059	2.4244	4.7567	4.7567	3.5176	3.5176		3.1349	3.0781	2.4933
H14	2.7585	4.2396	2.1911	1.0932	2.7221	2.1113	2.4244	4.7059	3.5176	3.5176	4.7567	4.7567	3.1349		2.4933	3.0781
H15	5.1460	2.2284	2.1101	2.7216	1.0914	4.0669	4.9177	3.1150	5.8423	5.8423	2.5944	2.5944	3.0781	2.4933		4.6428
H16	2.2284	5.1460	2.7216	2.1101	4.0669	1.0914	3.1150	4.9177	2.5944	2.5944	5.8423	5.8423	2.4933	3.0781	4.6428

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	C4	124.444	C1	C6	H16	116.297
C2	C5	C3	124.444	C2	C5	H15	116.297
C3	C4	C6	124.138	C3	C4	H14	116.634
C3	C5	H15	119.259	C4	C3	C5	124.138
C4	C3	H13	116.634	C4	C6	H16	119.259
C5	C2	H8	110.331	C5	C2	H11	110.923
C5	C2	H12	110.923	C5	C3	H13	119.228
C6	C1	H7	110.331	C6	C1	H9	110.923
C6	C1	H10	110.923	C6	C4	H14	119.228
H7	C1	H9	108.399	H7	C1	H10	108.399
H8	C2	H11	108.399	H8	C2	H12	108.399
H9	C1	H10	107.767	H11	C2	H12	107.767

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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