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	hartrees
Energy at 0K	-38.627656
Energy at 298.15K	-38.637459
Nuclear repulsion energy	113.311687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3281	2994	0.00
2	A_g	3278	2991	0.00
3	A_g	3233	2950	0.00
4	A_g	3135	2861	0.00
5	A_g	1868	1705	0.00
6	A_g	1636	1493	0.00
7	A_g	1563	1426	0.00
8	A_g	1479	1350	0.00
9	A_g	1437	1311	0.00
10	A_g	1286	1173	0.00
11	A_g	1178	1075	0.00
12	A_g	1013	925	0.00
13	A_g	457	417	0.00
14	A_g	357	325	0.00
15	A_u	3204	2923	103.74
16	A_u	1622	1480	18.12
17	A_u	1186	1083	5.53
18	A_u	1124	1026	103.27
19	A_u	865	789	4.17
20	A_u	245	224	2.17
21	A_u	168	154	0.38
22	A_u	110	100	2.02
23	B_g	3204	2923	0.00
24	B_g	1622	1480	0.00
25	B_g	1189	1085	0.00
26	B_g	1074	980	0.00
27	B_g	973	888	0.00
28	B_g	363	331	0.00
29	B_g	194	177	0.00
30	B_u	3289	3001	118.65
31	B_u	3275	2989	34.97
32	B_u	3233	2950	52.31
33	B_u	3134	2860	157.77
34	B_u	1801	1644	3.23
35	B_u	1632	1489	20.25
36	B_u	1559	1423	9.71
37	B_u	1452	1325	4.02
38	B_u	1382	1261	0.48
39	B_u	1184	1080	3.08
40	B_u	1006	918	18.25
41	B_u	583	532	0.29
42	B_u	150	137	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.132	-3.007	0.000
C2	-1.132	3.007	0.000
C3	0.000	0.739	0.000
C4	0.000	-0.739	0.000
C5	-1.111	1.494	0.000
C6	1.111	-1.494	0.000
H7	0.126	-3.417	0.000
H8	-0.126	3.417	0.000
H9	1.653	-3.390	0.876
H10	1.653	-3.390	-0.876
H11	-1.653	3.390	0.876
H12	-1.653	3.390	-0.876
H13	0.968	1.219	0.000
H14	-0.968	-1.219	0.000
H15	-2.075	1.005	0.000
H16	2.075	-1.005	0.000

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		6.4266	3.9139	2.5348	5.0290	1.5134	1.0859	6.5464	1.0884	1.0884	7.0317	7.0317	4.2294	2.7584	5.1364	2.2131
C2	6.4266		2.5348	3.9139	1.5134	5.0290	6.5464	1.0859	7.0317	7.0317	1.0884	1.0884	2.7584	4.2294	2.2131	5.1364
C3	3.9139	2.5348		1.4787	1.3428	2.4942	4.1583	2.6807	4.5330	4.5330	3.2440	3.2440	1.0804	2.1845	2.0918	2.7107
C4	2.5348	3.9139	1.4787		2.4942	1.3428	2.6807	4.1583	3.2440	3.2440	4.5330	4.5330	2.1845	1.0804	2.7107	2.0918
C5	5.0290	1.5134	1.3428	2.4942		3.7232	5.0644	2.1603	5.6793	5.6793	2.1575	2.1575	2.0968	2.7166	1.0812	4.0488
C6	1.5134	5.0290	2.4942	1.3428	3.7232		2.1603	5.0644	2.1575	2.1575	5.6793	5.6793	2.7166	2.0968	4.0488	1.0812
H7	1.0859	6.5464	4.1583	2.6807	5.0644	2.1603		6.8388	1.7601	1.7601	7.0898	7.0898	4.7117	2.4556	4.9397	3.1007
H8	6.5464	1.0859	2.6807	4.1583	2.1603	5.0644	6.8388		7.0898	7.0898	1.7601	1.7601	2.4556	4.7117	3.1007	4.9397
H9	1.0884	7.0317	4.5330	3.2440	5.6793	2.1575	1.7601	7.0898		1.7516	7.5425	7.7432	4.7408	3.5141	5.8290	2.5752
H10	1.0884	7.0317	4.5330	3.2440	5.6793	2.1575	1.7601	7.0898	1.7516		7.7432	7.5425	4.7408	3.5141	5.8290	2.5752
H11	7.0317	1.0884	3.2440	4.5330	2.1575	5.6793	7.0898	1.7601	7.5425	7.7432		1.7516	3.5141	4.7408	2.5752	5.8290
H12	7.0317	1.0884	3.2440	4.5330	2.1575	5.6793	7.0898	1.7601	7.7432	7.5425	1.7516		3.5141	4.7408	2.5752	5.8290
H13	4.2294	2.7584	1.0804	2.1845	2.0968	2.7166	4.7117	2.4556	4.7408	4.7408	3.5141	3.5141		3.1131	3.0505	2.4841
H14	2.7584	4.2294	2.1845	1.0804	2.7166	2.0968	2.4556	4.7117	3.5141	3.5141	4.7408	4.7408	3.1131		2.4841	3.0505
H15	5.1364	2.2131	2.0918	2.7107	1.0812	4.0488	4.9397	3.1007	5.8290	5.8290	2.5752	2.5752	3.0505	2.4841		4.6110
H16	2.2131	5.1364	2.7107	2.0918	4.0488	1.0812	3.1007	4.9397	2.5752	2.5752	5.8290	5.8290	2.4841	3.0505	4.6110

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	C4	125.007	C1	C6	H16	116.078
C2	C5	C3	125.007	C2	C5	H15	116.078
C3	C4	C6	124.196	C3	C4	H14	116.353
C3	C5	H15	118.915	C4	C3	C5	124.196
C4	C3	H13	116.353	C4	C6	H16	118.915
C5	C2	H8	111.360	C5	C2	H11	110.986
C5	C2	H12	110.986	C5	C3	H13	119.451
C6	C1	H7	111.360	C6	C1	H9	110.986
C6	C1	H10	110.986	C6	C4	H14	119.451
H7	C1	H9	108.094	H7	C1	H10	108.094
H8	C2	H11	108.094	H8	C2	H12	108.094
H9	C1	H10	107.157	H11	C2	H12	107.157

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

using model chemistry: HF/CEP-121G

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	-0.582
2	C	-0.582
3	C	-0.089
4	C	-0.089
5	C	-0.105
6	C	-0.105
7	H	0.163
8	H	0.163
9	H	0.152
10	H	0.152
11	H	0.152
12	H	0.152
13	H	0.157
14	H	0.157
15	H	0.152
16	H	0.152

	x	y	z
x	12.366	-4.794	0.000
y	-4.794	14.355	0.000
z	0.000	0.000	6.283

<r²>	237.231
(<r²>)^1/2	15.402

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

using model chemistry: HF/CEP-121G

States and conformations

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