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	hartrees
Energy at 0K	-234.607385
Energy at 298.15K	-234.616717
HF Energy	-234.607385
Nuclear repulsion energy	208.509574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3152	3015	0.00
2	A_g	3144	3008	0.00
3	A_g	3124	2988	0.00
4	A_g	3032	2900	0.00
5	A_g	1774	1697	0.00
6	A_g	1497	1432	0.00
7	A_g	1421	1359	0.00
8	A_g	1357	1298	0.00
9	A_g	1328	1270	0.00
10	A_g	1201	1148	0.00
11	A_g	1124	1075	0.00
12	A_g	944	903	0.00
13	A_g	440	420	0.00
14	A_g	342	327	0.00
15	A_u	3089	2955	46.53
16	A_u	1479	1415	17.25
17	A_u	1066	1019	0.11
18	A_u	1024	980	79.49
19	A_u	768	734	4.17
20	A_u	227	218	1.47
21	A_u	142	136	0.46
22	A_u	87	83	1.71
23	B_g	3089	2954	0.00
24	B_g	1480	1415	0.00
25	B_g	1067	1021	0.00
26	B_g	970	927	0.00
27	B_g	870	832	0.00
28	B_g	336	321	0.00
29	B_g	168	161	0.00
30	B_u	3155	3018	99.29
31	B_u	3148	3011	3.16
32	B_u	3124	2988	22.28
33	B_u	3032	2900	85.45
34	B_u	1727	1652	6.05
35	B_u	1492	1427	26.53
36	B_u	1416	1354	5.70
37	B_u	1340	1282	2.60
38	B_u	1264	1209	1.54
39	B_u	1100	1052	0.65
40	B_u	949	907	31.48
41	B_u	555	531	0.08
42	B_u	143	137	1.40

Atom	x (Å)	y (Å)	z (Å)
C1	-0.325	-3.161	0.000
C2	0.325	3.161	0.000
C3	0.325	0.651	0.000
C4	-0.325	-0.651	0.000
C5	-0.327	1.815	0.000
C6	0.327	-1.815	0.000
H7	-1.414	-3.076	0.000
H8	1.414	3.076	0.000
H9	-0.028	-3.742	0.879
H10	-0.028	-3.742	-0.879
H11	0.028	3.742	0.879
H12	0.028	3.742	-0.879
H13	1.414	0.657	0.000
H14	-1.414	-0.657	0.000
H15	-1.416	1.799	0.000
H16	1.416	-1.799	0.000

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		6.3550	3.8670	2.5096	4.9754	1.4959	1.0926	6.4748	1.0952	1.0952	6.9678	6.9678	4.1949	2.7308	5.0782	2.2105
C2	6.3550		2.5096	3.8670	1.4959	4.9754	6.4748	1.0926	6.9678	6.9678	1.0952	1.0952	2.7308	4.1949	2.2105	5.0782
C3	3.8670	2.5096		1.4554	1.3335	2.4657	4.1129	2.6583	4.4944	4.4944	3.2273	3.2273	1.0893	2.1758	2.0850	2.6820
C4	2.5096	3.8670	1.4554		2.4657	1.3335	2.6583	4.1129	3.2273	3.2273	4.4944	4.4944	2.1758	1.0893	2.6820	2.0850
C5	4.9754	1.4959	1.3335	2.4657		3.6875	5.0099	2.1502	5.6338	5.6338	2.1483	2.1483	2.0910	2.6997	1.0890	4.0118
C6	1.4959	4.9754	2.4657	1.3335	3.6875		2.1502	5.0099	2.1483	2.1483	5.6338	5.6338	2.6997	2.0910	4.0118	1.0890
H7	1.0926	6.4748	4.1129	2.6583	5.0099	2.1502		6.7710	1.7716	1.7716	7.0243	7.0243	4.6831	2.4193	4.8747	3.1051
H8	6.4748	1.0926	2.6583	4.1129	2.1502	5.0099	6.7710		7.0243	7.0243	1.7716	1.7716	2.4193	4.6831	3.1051	4.8747
H9	1.0952	6.9678	4.4944	3.2273	5.6338	2.1483	1.7716	7.0243		1.7587	7.4846	7.6884	4.7120	3.4950	5.7794	2.5759
H10	1.0952	6.9678	4.4944	3.2273	5.6338	2.1483	1.7716	7.0243	1.7587		7.6884	7.4846	4.7120	3.4950	5.7794	2.5759
H11	6.9678	1.0952	3.2273	4.4944	2.1483	5.6338	7.0243	1.7716	7.4846	7.6884		1.7587	3.4950	4.7120	2.5759	5.7794
H12	6.9678	1.0952	3.2273	4.4944	2.1483	5.6338	7.0243	1.7716	7.6884	7.4846	1.7587		3.4950	4.7120	2.5759	5.7794
H13	4.1949	2.7308	1.0893	2.1758	2.0910	2.6997	4.6831	2.4193	4.7120	4.7120	3.4950	3.4950		3.1182	3.0518	2.4554
H14	2.7308	4.1949	2.1758	1.0893	2.6997	2.0910	2.4193	4.6831	3.4950	3.4950	4.7120	4.7120	3.1182		2.4554	3.0518
H15	5.0782	2.2105	2.0850	2.6820	1.0890	4.0118	4.8747	3.1051	5.7794	5.7794	2.5759	2.5759	3.0518	2.4554		4.5785
H16	2.2105	5.0782	2.6820	2.0850	4.0118	1.0890	3.1051	4.8747	2.5759	2.5759	5.7794	5.7794	2.4554	3.0518	4.5785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	C4	124.896	C1	C6	H16	116.669
C2	C5	C3	124.896	C2	C5	H15	116.669
C3	C4	C6	124.231	C3	C4	H14	116.792
C3	C5	H15	118.435	C4	C3	C5	124.231
C4	C3	H13	116.792	C4	C6	H16	118.435
C5	C2	H8	111.386	C5	C2	H11	111.075
C5	C2	H12	111.075	C5	C3	H13	118.977
C6	C1	H7	111.386	C6	C1	H9	111.075
C6	C1	H10	111.075	C6	C4	H14	118.977
H7	C1	H9	108.151	H7	C1	H10	108.151
H8	C2	H11	108.151	H8	C2	H12	108.151
H9	C1	H10	106.825	H11	C2	H12	106.825

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	-0.302
2	C	-0.302
3	C	-0.104
4	C	-0.104
5	C	-0.169
6	C	-0.169
7	H	0.116
8	H	0.116
9	H	0.126
10	H	0.126
11	H	0.126
12	H	0.126
13	H	0.101
14	H	0.101
15	H	0.106
16	H	0.106

	x	y	z
x	9.163	-1.218	0.000
y	-1.218	18.414	0.000
z	0.000	0.000	6.289

<r²>	289.389
(<r²>)^1/2	17.011

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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