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	hartrees
Energy at 0K	-234.081601
Energy at 298.15K	-234.090949
HF Energy	-233.081955
Nuclear repulsion energy	213.973644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	3064	40.66
2	A'	3213	3057	0.00
3	A'	3195	3040	0.00
4	A'	3189	3034	21.40
5	A'	3181	3026	1.10
6	A'	3175	3021	0.00
7	A'	3072	2923	44.30
8	A'	3072	2923	0.00
9	A'	1711	1628	0.00
10	A'	1657	1577	11.21
11	A'	1504	1431	0.00
12	A'	1499	1427	20.90
13	A'	1475	1404	0.00
14	A'	1428	1358	9.70
15	A'	1412	1344	0.00
16	A'	1372	1305	3.95
17	A'	1302	1239	0.00
18	A'	1265	1204	0.18
19	A'	1178	1121	0.00
20	A'	1093	1040	0.32
21	A'	1013	963	0.00
22	A'	938	892	28.74
23	A'	933	888	0.00
24	A'	635	604	0.00
25	A'	517	492	13.33
26	A'	276	263	0.00
27	A'	190	181	0.10
28	A"	3136	2984	0.00
29	A"	3136	2984	22.89
30	A"	1496	1423	12.27
31	A"	1496	1423	0.00
32	A"	1059	1008	0.00
33	A"	1058	1007	3.68
34	A"	1005	956	0.77
35	A"	966	919	0.00
36	A"	797	758	0.00
37	A"	702	668	64.48
38	A"	467	445	0.00
39	A"	311	296	0.13
40	A"	106	101	0.00
41	A"	96	92	0.80
42	A"	56	53	0.36

Atom	x (Å)	y (Å)	z (Å)
H1	-1.563	-2.258	0.000
C2	-0.597	-1.766	0.000
H3	-1.554	0.074	0.000
C4	-0.591	-0.420	0.000
H5	1.554	-0.074	0.000
C6	0.591	0.420	0.000
H7	1.563	2.258	0.000
C8	0.597	1.766	0.000
H9	-1.534	2.133	0.000
H10	-0.574	3.322	0.876
H11	-0.574	3.322	-0.876
C12	-0.591	2.673	0.000
H13	1.534	-2.133	0.000
H14	0.574	-3.322	0.876
H15	0.574	-3.322	-0.876
C16	0.591	-2.673	0.000

	H1	C2	H3	C4	H5	C6	H7	C8	H9	H10	H11	C12	H13	H14	H15	C16
H1		1.0842	2.3322	2.0786	3.8056	3.4372	5.4922	4.5672	4.3906	5.7344	5.7344	5.0256	3.0994	2.5435	2.5435	2.1941
C2	1.0842		2.0747	1.3459	2.7363	2.4887	4.5672	3.7290	4.0101	5.1637	5.1637	4.4394	2.1617	2.1354	2.1354	1.4944
H3	2.3322	2.0747		1.0824	3.1110	2.1726	3.8056	2.7363	2.0585	3.5037	3.5037	2.7711	3.7952	4.1029	4.1029	3.4855
C4	2.0786	1.3459	1.0824		2.1726	1.4509	3.4372	2.4887	2.7217	3.8440	3.8440	3.0935	2.7288	3.2475	3.2475	2.5439
H5	3.8056	2.7363	3.1110	2.1726		1.0824	2.3322	2.0747	3.7952	4.1029	4.1029	3.4855	2.0585	3.5037	3.5037	2.7711
C6	3.4372	2.4887	2.1726	1.4509	1.0824		2.0786	1.3459	2.7288	3.2475	3.2475	2.5439	2.7217	3.8440	3.8440	3.0935
H7	5.4922	4.5672	3.8056	3.4372	2.3322	2.0786		1.0842	3.0994	2.5435	2.5435	2.1941	4.3906	5.7344	5.7344	5.0256
C8	4.5672	3.7290	2.7363	2.4887	2.0747	1.3459	1.0842		2.1617	2.1354	2.1354	1.4944	4.0101	5.1637	5.1637	4.4394
H9	4.3906	4.0101	2.0585	2.7217	3.7952	2.7288	3.0994	2.1617		1.7616	1.7616	1.0863	5.2539	5.9135	5.9135	5.2545
H10	5.7344	5.1637	3.5037	3.8440	4.1029	3.2475	2.5435	2.1354	1.7616		1.7520	1.0906	5.9135	6.7433	6.9671	6.1701
H11	5.7344	5.1637	3.5037	3.8440	4.1029	3.2475	2.5435	2.1354	1.7616	1.7520		1.0906	5.9135	6.9671	6.7433	6.1701
C12	5.0256	4.4394	2.7711	3.0935	3.4855	2.5439	2.1941	1.4944	1.0863	1.0906	1.0906		5.2545	6.1701	6.1701	5.4751
H13	3.0994	2.1617	3.7952	2.7288	2.0585	2.7217	4.3906	4.0101	5.2539	5.9135	5.9135	5.2545		1.7616	1.7616	1.0863
H14	2.5435	2.1354	4.1029	3.2475	3.5037	3.8440	5.7344	5.1637	5.9135	6.7433	6.9671	6.1701	1.7616		1.7520	1.0906
H15	2.5435	2.1354	4.1029	3.2475	3.5037	3.8440	5.7344	5.1637	5.9135	6.9671	6.7433	6.1701	1.7616	1.7520		1.0906
C16	2.1941	1.4944	3.4855	2.5439	2.7711	3.0935	5.0256	4.4394	5.2545	6.1701	6.1701	5.4751	1.0863	1.0906	1.0906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	117.191	H1	C2	C16	115.702
C2	C4	H3	116.968	C2	C4	C6	125.666
C2	C16	H13	112.831	C2	C16	H14	110.418
C2	C16	H15	110.418	H3	C4	C6	117.367
C4	C2	C16	127.107	C4	C6	H5	117.367
C4	C6	C8	125.666	H5	C6	C8	116.968
C6	C8	H7	117.191	C6	C8	C12	127.107
H7	C8	C12	115.702	C8	C12	H9	112.831
C8	C12	H10	110.418	C8	C12	H11	110.418
H9	C12	H10	108.036	H9	C12	H11	108.036
H10	C12	H11	106.881	H13	C16	H14	108.036
H13	C16	H15	108.036	H14	C16	H15	106.881

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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