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	hartrees
Energy at 0K	-39.080487
Energy at 298.15K	-39.089621
HF Energy	-38.598786
Nuclear repulsion energy	113.540142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3174	3067	153.75
2	A'	3167	3060	0.00
3	A'	3150	3044	0.00
4	A'	3142	3036	47.33
5	A'	3121	3016	21.54
6	A'	3117	3012	0.00
7	A'	3027	2925	0.19
8	A'	3027	2925	95.00
9	A'	1685	1628	0.00
10	A'	1619	1565	6.72
11	A'	1525	1474	0.00
12	A'	1519	1468	19.26
13	A'	1468	1419	0.00
14	A'	1463	1413	12.11
15	A'	1457	1408	0.00
16	A'	1386	1339	2.45
17	A'	1318	1273	0.00
18	A'	1277	1234	1.56
19	A'	1185	1145	0.00
20	A'	1101	1064	1.80
21	A'	1017	983	0.00
22	A'	928	897	22.04
23	A'	908	877	0.00
24	A'	627	606	0.00
25	A'	513	496	11.96
26	A'	269	260	0.00
27	A'	187	181	0.25
28	A"	3107	3002	100.15
29	A"	3107	3002	0.19
30	A"	1505	1455	18.19
31	A"	1505	1454	0.00
32	A"	1077	1041	0.00
33	A"	1077	1040	3.38
34	A"	938	906	1.35
35	A"	906	875	0.00
36	A"	776	749	0.00
37	A"	690	667	125.79
38	A"	438	423	0.00
39	A"	296	286	0.04
40	A"	81	78	0.00
41	A"	75	73	0.94
42	A"	53	52	0.18

Atom	x (Å)	y (Å)	z (Å)
H1	0.982	-2.656	0.000
C2	1.137	-1.561	0.000
H3	-0.979	-1.256	0.000
C4	0.000	-0.750	0.000
H5	0.979	1.256	0.000
C6	0.000	0.750	0.000
H7	-0.982	2.656	0.000
C8	-1.137	1.561	0.000
H9	-2.705	-0.007	0.000
H10	-3.141	1.489	0.896
H11	-3.141	1.489	-0.896
C12	-2.610	1.097	0.000
H13	2.705	0.007	0.000
H14	3.141	-1.489	0.896
H15	3.141	-1.489	-0.896
C16	2.610	-1.097	0.000

	H1	C2	H3	C4	H5	C6	H7	C8	H9	H10	H11	C12	H13	H14	H15	C16
H1		1.1060	2.4100	2.1442	3.9115	3.5446	5.6634	4.7193	4.5403	5.9149	5.9149	5.1954	3.1711	2.6127	2.6127	2.2539
C2	1.1060		2.1381	1.3966	2.8208	2.5752	4.7193	3.8620	4.1444	5.3298	5.3298	4.5942	2.2169	2.1967	2.1967	1.5445
H3	2.4100	2.1381		1.1020	3.1846	2.2318	3.9115	2.8208	2.1304	3.6070	3.6070	2.8629	3.8943	4.2231	4.2231	3.5929
C4	2.1442	1.3966	1.1020		2.2318	1.4997	3.5446	2.5752	2.8052	3.9601	3.9601	3.1976	2.8087	3.3491	3.3491	2.6333
H5	3.9115	2.8208	3.1846	2.2318		1.1020	2.4100	2.1381	3.8943	4.2231	4.2231	3.5930	2.1303	3.6070	3.6070	2.8629
C6	3.5446	2.5752	2.2318	1.4997	1.1020		2.1442	1.3966	2.8087	3.3492	3.3492	2.6333	2.8051	3.9601	3.9601	3.1976
H7	5.6634	4.7193	3.9115	3.5446	2.4100	2.1442		1.1060	3.1711	2.6127	2.6127	2.2539	4.5403	5.9148	5.9148	5.1953
C8	4.7193	3.8620	2.8208	2.5752	2.1381	1.3966	1.1060		2.2169	2.1967	2.1967	1.5445	4.1444	5.3298	5.3298	4.5942
H9	4.5403	4.1444	2.1304	2.8052	3.8943	2.8087	3.1711	2.2169		1.7973	1.7973	1.1077	5.4098	6.0973	6.0973	5.4259
H10	5.9149	5.3298	3.6070	3.9601	4.2231	3.3492	2.6127	2.1967	1.7973		1.7930	1.1131	6.0973	6.9523	7.1798	6.3695
H11	5.9149	5.3298	3.6070	3.9601	4.2231	3.3492	2.6127	2.1967	1.7973	1.7930		1.1131	6.0973	7.1798	6.9523	6.3695
C12	5.1954	4.5942	2.8629	3.1976	3.5930	2.6333	2.2539	1.5445	1.1077	1.1131	1.1131		5.4259	6.3695	6.3695	5.6630
H13	3.1711	2.2169	3.8943	2.8087	2.1303	2.8051	4.5403	4.1444	5.4098	6.0973	6.0973	5.4259		1.7973	1.7973	1.1077
H14	2.6127	2.1967	4.2231	3.3491	3.6070	3.9601	5.9148	5.3298	6.0973	6.9523	7.1798	6.3695	1.7973		1.7930	1.1131
H15	2.6127	2.1967	4.2231	3.3491	3.6070	3.9601	5.9148	5.3298	6.0973	7.1798	6.9523	6.3695	1.7973	1.7930		1.1131
C16	2.2539	1.5445	3.5929	2.6333	2.8629	3.1976	5.1953	4.5942	5.4259	6.3695	6.3695	5.6630	1.1077	1.1131	1.1131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	117.451	H1	C2	C16	115.511
C2	C4	H3	117.187	C2	C4	C6	125.491
C2	C16	H13	112.368	C2	C16	H14	110.441
C2	C16	H15	110.441	H3	C4	C6	117.323
C4	C2	C16	127.037	C4	C6	H5	117.322
C4	C6	C8	125.491	H5	C6	C8	117.187
C6	C8	H7	117.451	C6	C8	C12	127.038
H7	C8	C12	115.511	C8	C12	H9	112.368
C8	C12	H10	110.441	C8	C12	H11	110.441
H9	C12	H10	108.058	H9	C12	H11	108.058
H10	C12	H11	107.299	H13	C16	H14	108.058
H13	C16	H15	108.058	H14	C16	H15	107.299

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

using model chemistry: MP2/CEP-31G

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/CEP-31G

States and conformations

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