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	hartrees
Energy at 0K	-233.843310
Energy at 298.15K	-233.852508
HF Energy	-233.032489
Nuclear repulsion energy	212.875976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3057	56.41
2	A'	3209	3049	0.00
3	A'	3193	3034	0.00
4	A'	3187	3028	25.18
5	A'	3174	3017	8.92
6	A'	3169	3011	0.00
7	A'	3072	2919	48.45
8	A'	3072	2919	0.00
9	A'	1723	1637	0.00
10	A'	1665	1582	8.84
11	A'	1531	1455	0.00
12	A'	1527	1451	25.49
13	A'	1487	1413	0.00
14	A'	1456	1383	14.65
15	A'	1444	1372	0.00
16	A'	1389	1320	3.02
17	A'	1321	1255	0.00
18	A'	1287	1223	0.70
19	A'	1190	1130	0.00
20	A'	1108	1053	0.40
21	A'	1025	974	0.00
22	A'	946	899	25.60
23	A'	935	888	0.00
24	A'	640	608	0.00
25	A'	521	495	14.47
26	A'	278	264	0.00
27	A'	191	182	0.19
28	A"	3137	2981	0.00
29	A"	3137	2981	35.54
30	A"	1520	1445	0.00
31	A"	1520	1445	18.14
32	A"	1070	1017	0.00
33	A"	1069	1016	1.86
34	A"	955	908	0.24
35	A"	924	878	0.00
36	A"	775	736	0.00
37	A"	680	646	80.22
38	A"	450	428	0.00
39	A"	296	281	0.12
40	A"	84	80	0.00
41	A"	78	74	0.73
42	A"	41	39	0.16

Atom	x (Å)	y (Å)	z (Å)
H1	1.560	2.278	0.000
C2	0.590	1.780	0.000
H3	1.562	-0.061	0.000
C4	0.590	0.429	0.000
H5	-1.562	0.061	0.000
C6	-0.590	-0.429	0.000
H7	-1.560	-2.278	0.000
C8	-0.590	-1.780	0.000
H9	1.549	-2.159	0.000
H10	0.581	-3.347	0.879
H11	0.581	-3.347	-0.879
C12	0.600	-2.694	0.000
H13	-1.549	2.159	0.000
H14	-0.581	3.347	0.879
H15	-0.581	3.347	-0.879
C16	-0.600	2.694	0.000

	H1	C2	H3	C4	H5	C6	H7	C8	H9	H10	H11	C12	H13	H14	H15	C16
H1		1.0899	2.3391	2.0878	3.8279	3.4560	5.5208	4.5915	4.4363	5.7760	5.7760	5.0631	3.1112	2.5492	2.5492	2.1987
C2	1.0899		2.0817	1.3511	2.7534	2.5037	4.5915	3.7498	4.0534	5.2011	5.2011	4.4733	2.1728	2.1448	2.1448	1.5002
H3	2.3391	2.0817		1.0881	3.1255	2.1827	3.8279	2.7534	2.0972	3.5391	3.5391	2.8025	3.8219	4.1207	4.1207	3.5016
C4	2.0878	1.3511	1.0881		2.1827	1.4585	3.4560	2.5037	2.7593	3.8761	3.8761	3.1222	2.7515	3.2650	3.2650	2.5585
H5	3.8279	2.7534	3.1255	2.1827		1.0881	2.3391	2.0817	3.8219	4.1207	4.1207	3.5016	2.0972	3.5391	3.5391	2.8025
C6	3.4560	2.5037	2.1827	1.4585	1.0881		2.0878	1.3511	2.7515	3.2650	3.2650	2.5585	2.7593	3.8761	3.8761	3.1222
H7	5.5208	4.5915	3.8279	3.4560	2.3391	2.0878		1.0899	3.1112	2.5492	2.5492	2.1987	4.4363	5.7760	5.7760	5.0631
C8	4.5915	3.7498	2.7534	2.5037	2.0817	1.3511	1.0899		2.1728	2.1448	2.1448	1.5002	4.0534	5.2011	5.2011	4.4733
H9	4.4363	4.0534	2.0972	2.7593	3.8219	2.7515	3.1112	2.1728		1.7665	1.7665	1.0902	5.3143	5.9684	5.9684	5.3069
H10	5.7760	5.2011	3.5391	3.8761	4.1207	3.2650	2.5492	2.1448	1.7665		1.7574	1.0950	5.9684	6.7937	7.0173	6.2171
H11	5.7760	5.2011	3.5391	3.8761	4.1207	3.2650	2.5492	2.1448	1.7665	1.7574		1.0950	5.9684	7.0173	6.7937	6.2171
C12	5.0631	4.4733	2.8025	3.1222	3.5016	2.5585	2.1987	1.5002	1.0902	1.0950	1.0950		5.3069	6.2171	6.2171	5.5191
H13	3.1112	2.1728	3.8219	2.7515	2.0972	2.7593	4.4363	4.0534	5.3143	5.9684	5.9684	5.3069		1.7665	1.7665	1.0902
H14	2.5492	2.1448	4.1207	3.2650	3.5391	3.8761	5.7760	5.2011	5.9684	6.7937	7.0173	6.2171	1.7665		1.7574	1.0950
H15	2.5492	2.1448	4.1207	3.2650	3.5391	3.8761	5.7760	5.2011	5.9684	7.0173	6.7937	6.2171	1.7665	1.7574		1.0950
C16	2.1987	1.5002	3.5016	2.5585	2.8025	3.1222	5.0631	4.4733	5.3069	6.2171	6.2171	5.5191	1.0902	1.0950	1.0950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	117.190	H1	C2	C16	115.272
C2	C4	H3	116.766	C2	C4	C6	125.988
C2	C16	H13	113.074	C2	C16	H14	110.505
C2	C16	H15	110.505	H3	C4	C6	117.246
C4	C2	C16	127.538	C4	C6	H5	117.246
C4	C6	C8	125.988	H5	C6	C8	116.766
C6	C8	H7	117.190	C6	C8	C12	127.538
H7	C8	C12	115.272	C8	C12	H9	113.074
C8	C12	H10	110.505	C8	C12	H11	110.505
H9	C12	H10	107.883	H9	C12	H11	107.883
H10	C12	H11	106.740	H13	C16	H14	107.883
H13	C16	H15	107.883	H14	C16	H15	106.740

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

using model chemistry: MP2/6-311G*

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

using model chemistry: MP2/6-311G*

States and conformations

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