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	hartrees
Energy at 0K	-234.720058
Energy at 298.15K	-234.729515
HF Energy	-234.720058
Nuclear repulsion energy	213.589142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3061	46.34
2	A'	3156	3054	0.00
3	A'	3134	3032	0.00
4	A'	3132	3030	27.98
5	A'	3111	3010	10.89
6	A'	3108	3007	0.00
7	A'	3015	2917	0.00
8	A'	3015	2917	67.45
9	A'	1707	1652	0.00
10	A'	1662	1608	15.93
11	A'	1492	1443	0.00
12	A'	1487	1438	23.82
13	A'	1473	1425	0.00
14	A'	1424	1378	8.65
15	A'	1410	1365	0.00
16	A'	1383	1338	6.78
17	A'	1305	1262	0.00
18	A'	1274	1232	0.24
19	A'	1175	1137	0.00
20	A'	1087	1052	0.64
21	A'	1008	975	0.00
22	A'	925	895	39.94
23	A'	914	884	0.00
24	A'	640	619	0.00
25	A'	527	509	15.53
26	A'	271	262	0.00
27	A'	183	177	0.11
28	A"	3048	2949	0.00
29	A"	3048	2949	34.58
30	A"	1482	1433	0.00
31	A"	1482	1433	12.06
32	A"	1063	1028	0.00
33	A"	1062	1027	2.98
34	A"	1024	991	1.71
35	A"	993	961	0.00
36	A"	812	786	0.00
37	A"	708	685	62.87
38	A"	475	460	0.00
39	A"	322	311	0.12
40	A"	121	117	0.00
41	A"	111	107	0.67
42	A"	64	62	0.60

Atom	x (Å)	y (Å)	z (Å)
H1	1.549	2.266	0.000
C2	0.583	1.772	0.000
H3	1.551	-0.056	0.000
C4	0.583	0.432	0.000
H5	-1.551	0.056	0.000
C6	-0.583	-0.432	0.000
H7	-1.549	-2.266	0.000
C8	-0.583	-1.772	0.000
H9	1.550	-2.163	0.000
H10	0.576	-3.344	0.876
H11	0.576	-3.344	-0.876
C12	0.598	-2.690	0.000
H13	-1.550	2.163	0.000
H14	-0.576	3.344	0.876
H15	-0.576	3.344	-0.876
C16	-0.598	2.690	0.000

	H1	C2	H3	C4	H5	C6	H7	C8	H9	H10	H11	C12	H13	H14	H15	C16
H1		1.0850	2.3224	2.0734	3.8070	3.4388	5.4903	4.5665	4.4296	5.7611	5.7611	5.0463	3.1008	2.5389	2.5389	2.1883
C2	1.0850		2.0680	1.3402	2.7381	2.4931	4.5665	3.7306	4.0520	5.1903	5.1903	4.4613	2.1690	2.1410	2.1410	1.4959
H3	2.3224	2.0680		1.0833	3.1033	2.1667	3.8070	2.7381	2.1072	3.5394	3.5394	2.8005	3.8131	4.1051	4.1051	3.4863
C4	2.0734	1.3402	1.0833		2.1667	1.4512	3.4388	2.4931	2.7691	3.8759	3.8759	3.1211	2.7477	3.2550	3.2550	2.5483
H5	3.8070	2.7381	3.1033	2.1667		1.0833	2.3224	2.0680	3.8131	4.1051	4.1051	3.4863	2.1072	3.5394	3.5394	2.8005
C6	3.4388	2.4931	2.1667	1.4512	1.0833		2.0734	1.3402	2.7477	3.2550	3.2550	2.5483	2.7691	3.8759	3.8759	3.1211
H7	5.4903	4.5665	3.8070	3.4388	2.3224	2.0734		1.0850	3.1008	2.5389	2.5389	2.1883	4.4296	5.7611	5.7611	5.0463
C8	4.5665	3.7306	2.7381	2.4931	2.0680	1.3402	1.0850		2.1690	2.1410	2.1410	1.4959	4.0520	5.1903	5.1903	4.4613
H9	4.4296	4.0520	2.1072	2.7691	3.8131	2.7477	3.1008	2.1690		1.7633	1.7633	1.0879	5.3225	5.9682	5.9682	5.3069
H10	5.7611	5.1903	3.5394	3.8759	4.1051	3.2550	2.5389	2.1410	1.7633		1.7515	1.0935	5.9682	6.7868	7.0092	6.2089
H11	5.7611	5.1903	3.5394	3.8759	4.1051	3.2550	2.5389	2.1410	1.7633	1.7515		1.0935	5.9682	7.0092	6.7868	6.2089
C12	5.0463	4.4613	2.8005	3.1211	3.4863	2.5483	2.1883	1.4959	1.0879	1.0935	1.0935		5.3069	6.2089	6.2089	5.5104
H13	3.1008	2.1690	3.8131	2.7477	2.1072	2.7691	4.4296	4.0520	5.3225	5.9682	5.9682	5.3069		1.7633	1.7633	1.0879
H14	2.5389	2.1410	4.1051	3.2550	3.5394	3.8759	5.7611	5.1903	5.9682	6.7868	7.0092	6.2089	1.7633		1.7515	1.0935
H15	2.5389	2.1410	4.1051	3.2550	3.5394	3.8759	5.7611	5.1903	5.9682	7.0092	6.7868	6.2089	1.7633	1.7515		1.0935
C16	2.1883	1.4959	3.4863	2.5483	2.8005	3.1211	5.0463	4.4613	5.3069	6.2089	6.2089	5.5104	1.0879	1.0935	1.0935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	117.117	H1	C2	C16	115.035
C2	C4	H3	116.752	C2	C4	C6	126.494
C2	C16	H13	113.222	C2	C16	H14	110.591
C2	C16	H15	110.591	H3	C4	C6	116.754
C4	C2	C16	127.848	C4	C6	H5	116.754
C4	C6	C8	126.494	H5	C6	C8	116.752
C6	C8	H7	117.117	C6	C8	C12	127.848
H7	C8	C12	115.035	C8	C12	H9	113.222
C8	C12	H10	110.591	C8	C12	H11	110.591
H9	C12	H10	107.867	H9	C12	H11	107.867
H10	C12	H11	106.419	H13	C16	H14	107.867
H13	C16	H15	107.867	H14	C16	H15	106.419

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

using model chemistry: B3LYP/aug-cc-pVTZ

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, (Z,Z)-)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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