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	hartrees
Energy at 0K	-233.069273
Energy at 298.15K	-233.078865
HF Energy	-233.069273
Nuclear repulsion energy	213.590827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3090	51.16
2	A'	3196	3079	0.00
3	A'	3179	3062	0.00
4	A'	3175	3058	20.55
5	A'	3161	3045	4.05
6	A'	3156	3040	0.00
7	A'	3056	2944	0.47
8	A'	3056	2944	43.47
9	A'	1737	1674	0.00
10	A'	1696	1633	7.85
11	A'	1552	1495	0.00
12	A'	1549	1492	27.40
13	A'	1505	1450	0.00
14	A'	1469	1415	23.63
15	A'	1461	1407	0.00
16	A'	1429	1376	1.98
17	A'	1347	1298	0.00
18	A'	1313	1265	1.95
19	A'	1199	1155	0.00
20	A'	1117	1076	4.57
21	A'	1035	997	0.00
22	A'	944	910	38.91
23	A'	923	889	0.00
24	A'	661	636	0.00
25	A'	545	525	19.46
26	A'	288	278	0.00
27	A'	199	191	0.28
28	A"	3104	2990	26.79
29	A"	3104	2990	3.91
30	A"	1549	1492	0.20
31	A"	1549	1492	21.22
32	A"	1099	1058	0.00
33	A"	1097	1057	0.08
34	A"	1040	1002	0.83
35	A"	1013	975	0.00
36	A"	824	794	0.00
37	A"	718	691	98.45
38	A"	478	460	0.00
39	A"	315	304	0.01
40	A"	129	124	0.00
41	A"	124	119	0.75
42	A"	65	63	0.67

Atom	x (Å)	y (Å)	z (Å)
H1	-0.972	2.478	0.000
C2	-1.107	1.457	0.000
H3	0.896	1.173	0.000
C4	0.000	0.683	0.000
H5	-0.897	-1.173	0.000
C6	-0.000	-0.683	0.000
H7	0.972	-2.478	0.000
C8	1.107	-1.457	0.000
H9	2.509	0.118	0.000
H10	3.003	-1.328	0.884
H11	3.003	-1.328	-0.884
C12	2.479	-0.969	0.000
H13	-2.509	-0.118	0.000
H14	-3.001	1.329	0.886
H15	-3.001	1.329	-0.886
C16	-2.479	0.969	0.000

	H1	C2	H3	C4	H5	C6	H7	C8	H9	H10	H11	C12	H13	H14	H15	C16
H1		1.0300	2.2793	2.0415	3.6525	3.3075	5.3244	4.4510	4.2057	5.5739	5.5739	4.8777	3.0174	2.4947	2.4947	2.1329
C2	1.0300		2.0235	1.3508	2.6390	2.4096	4.4510	3.6600	3.8558	5.0426	5.0426	4.3293	2.1090	2.0954	2.0954	1.4563
H3	2.2793	2.0235		1.0218	2.9534	2.0617	3.6525	2.6390	1.9269	3.3873	3.3873	2.6631	3.6423	4.0005	4.0005	3.3817
C4	2.0415	1.3508	1.0218		2.0617	1.3663	3.3076	2.4097	2.5716	3.7205	3.7205	2.9787	2.6340	3.1956	3.1956	2.4954
H5	3.6525	2.6390	2.9534	2.0617		1.0218	2.2792	2.0235	3.6421	4.0013	4.0013	3.3815	1.9270	3.3881	3.3881	2.6631
C6	3.3075	2.4096	2.0617	1.3663	1.0218		2.0415	1.3508	2.6338	3.1960	3.1960	2.4952	2.5718	3.7207	3.7207	2.9788
H7	5.3244	4.4510	3.6525	3.3076	2.2792	2.0415		1.0300	3.0173	2.4960	2.4960	2.1329	4.2058	5.5742	5.5742	4.8776
C8	4.4510	3.6600	2.6390	2.4097	2.0235	1.3508	1.0300		2.1089	2.0959	2.0959	1.4562	3.8560	5.0427	5.0427	4.3294
H9	4.2057	3.8558	1.9269	2.5716	3.6421	2.6338	3.0173	2.1089		1.7653	1.7653	1.0874	5.0235	5.7110	5.7110	5.0598
H10	5.5739	5.0426	3.3873	3.7205	4.0013	3.1960	2.4960	2.0959	1.7653		1.7684	1.0887	5.7119	6.5658	6.8004	6.0087
H11	5.5739	5.0426	3.3873	3.7205	4.0013	3.1960	2.4960	2.0959	1.7653	1.7684		1.0887	5.7119	6.8004	6.5658	6.0087
C12	4.8777	4.3293	2.6631	2.9787	3.3815	2.4952	2.1329	1.4562	1.0874	1.0887	1.0887		5.0599	6.0082	6.0082	5.3228
H13	3.0174	2.1090	3.6423	2.6340	1.9270	2.5718	4.2058	3.8560	5.0235	5.7119	5.7119	5.0599		1.7673	1.7673	1.0873
H14	2.4947	2.0954	4.0005	3.1956	3.3881	3.7207	5.5742	5.0427	5.7110	6.5658	6.8004	6.0082	1.7673		1.7727	1.0902
H15	2.4947	2.0954	4.0005	3.1956	3.3881	3.7207	5.5742	5.0427	5.7110	6.8004	6.5658	6.0082	1.7673	1.7727		1.0902
C16	2.1329	1.4563	3.3817	2.4954	2.6631	2.9788	4.8776	4.3294	5.0598	6.0087	6.0087	5.3228	1.0873	1.0902	1.0902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	117.441	H1	C2	C16	117.121
C2	C4	H3	116.367	C2	C4	C6	124.958
C2	C16	H13	111.190	C2	C16	H14	109.907
C2	C16	H15	109.907	H3	C4	C6	118.676
C4	C2	C16	125.438	C4	C6	H5	118.675
C4	C6	C8	124.961	H5	C6	C8	116.364
C6	C8	H7	117.441	C6	C8	C12	125.435
H7	C8	C12	117.124	C8	C12	H9	111.185
C8	C12	H10	110.051	C8	C12	H11	110.051
H9	C12	H10	108.437	H9	C12	H11	108.437
H10	C12	H11	108.616	H13	C16	H14	108.503
H13	C16	H15	108.503	H14	C16	H15	108.776

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

using model chemistry: HSEh1PBE/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, (Z,Z)-)

using model chemistry: HSEh1PBE/3-21G

States and conformations

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