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	hartrees
Energy at 0K	-233.925948
Energy at 298.15K	-233.935543
HF Energy	-233.058236
Nuclear repulsion energy	221.816925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3295	3123	9.31
2	A	3212	3045	31.21
3	A	3202	3035	10.44
4	A	3191	3025	14.90
5	A	3185	3019	17.79
6	A	3180	3014	0.80
7	A	3146	2982	14.57
8	A	3116	2954	13.98
9	A	3078	2918	20.51
10	A	3075	2915	22.56
11	A	1716	1627	2.73
12	A	1697	1609	10.20
13	A	1520	1441	10.63
14	A	1504	1425	1.51
15	A	1489	1412	10.80
16	A	1462	1386	3.61
17	A	1448	1373	5.50
18	A	1416	1342	2.58
19	A	1366	1295	1.81
20	A	1333	1263	1.83
21	A	1295	1228	0.71
22	A	1243	1178	1.83
23	A	1138	1078	1.52
24	A	1103	1046	5.80
25	A	1065	1010	3.21
26	A	1022	968	21.35
27	A	1010	958	1.77
28	A	982	930	0.97
29	A	944	895	0.29
30	A	932	883	3.49
31	A	877	831	1.40
32	A	868	823	34.88
33	A	730	692	31.14
34	A	625	592	8.01
35	A	544	516	12.99
36	A	531	503	4.43
37	A	387	367	0.63
38	A	301	285	0.03
39	A	213	202	0.20
40	A	122	116	0.06
41	A	109	103	0.14
42	A	45	43	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-2.322	0.234	-0.624
H2	-3.261	0.510	-0.145
H3	-1.804	1.142	-0.902
H4	-2.552	-0.322	-1.536
C5	-1.528	-0.596	0.272
H6	-1.956	-1.476	0.578
C7	-0.291	-0.331	0.742
H8	0.120	-1.027	1.368
C9	0.514	0.848	0.452
H10	-0.020	1.522	-0.206
H11	0.724	1.367	1.390
C12	1.786	0.507	-0.187
H13	2.434	1.264	-0.423
C14	2.136	-0.748	-0.478
H15	3.037	-0.935	-0.926
H16	1.514	-1.526	-0.260

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	C14	H15	H16
C1		1.0898	1.0823	1.0917	1.4572	2.1214	2.5122	3.3943	3.0951	2.6714	3.8244	4.1403	4.8712	4.5674	5.4934	4.2361
H2	1.0898		1.7599	1.7689	2.0981	2.4835	3.2119	4.0102	3.8370	3.3964	4.3564	5.0472	5.7521	5.5519	6.5088	5.1922
H3	1.0823	1.7599		1.7619	2.1161	3.0110	2.6762	3.6820	2.7001	1.9522	3.4201	3.7148	4.2669	4.3903	5.2677	4.3055
H4	1.0917	1.7689	1.7619		2.0957	2.4803	3.2090	4.0080	3.8363	3.4026	4.7061	4.6174	5.3493	4.8244	5.6551	4.4278
C5	1.4572	2.0981	2.1161	2.0957		1.0247	1.3494	2.0251	2.5078	2.6442	3.1907	3.5229	4.4324	3.7431	4.7316	3.2250
H6	2.1214	2.4835	3.0110	2.4803	1.0247		2.0273	2.2664	3.3940	3.6540	3.9914	4.3036	5.2714	4.2884	5.2425	3.5703
C7	2.5122	3.2119	2.6762	3.2090	1.3494	2.0273		1.0219	1.4573	2.0995	2.0826	2.4248	3.3662	2.7481	3.7711	2.3852
H8	3.3943	4.0102	3.6820	4.0080	2.0251	2.2664	1.0219		2.1238	2.9990	2.4695	2.7471	3.7166	2.7474	3.7118	2.2006
C9	3.0951	3.8370	2.7001	3.8363	2.5078	3.3940	1.4573	2.1238		1.0824	1.0929	1.4637	2.1509	2.4586	3.3830	2.6728
H10	2.6714	3.3964	1.9522	3.4026	2.6442	3.6540	2.0995	2.9990	1.0824		1.7682	2.0712	2.4771	3.1424	3.9873	3.4123
H11	3.8244	4.3564	3.4201	4.7061	3.1907	3.9914	2.0826	2.4695	1.0929	1.7682		2.0867	2.4944	3.1556	4.0017	3.4232
C12	4.1403	5.0472	3.7148	4.6174	3.5229	4.3036	2.4248	2.7471	1.4637	2.0712	2.0867		1.0244	1.3354	2.0474	2.0524
H13	4.8712	5.7521	4.2669	5.3493	4.4324	5.2714	3.3662	3.7166	2.1509	2.4771	2.4944	1.0244		2.0353	2.3355	2.9425
C14	4.5674	5.5519	4.3903	4.8244	3.7431	4.2884	2.7481	2.7474	2.4586	3.1424	3.1556	1.3354	2.0353		1.0234	1.0192
H15	5.4934	6.5088	5.2677	5.6551	4.7316	5.2425	3.7711	3.7118	3.3830	3.9873	4.0017	2.0474	2.3355	1.0234		1.7637
H16	4.2361	5.1922	4.3055	4.4278	3.2250	3.5703	2.3852	2.2006	2.6728	3.4123	3.4232	2.0524	2.9425	1.0192	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	116.381	C1	C5	C7	127.000
H2	C1	H3	108.229	H2	C1	H4	108.361
H2	C1	C5	110.082	H3	C1	H4	108.275
H3	C1	C5	112.022	H4	C1	C5	109.778
C5	C7	H8	116.620	C5	C7	C9	126.587
H6	C5	C7	116.619	C7	C9	H10	110.644
C7	C9	H11	108.661	C7	C9	C12	112.223
H8	C7	C9	116.792	C9	C12	H13	118.582
C9	C12	C14	122.819	H10	C9	H11	108.754
H10	C9	C12	107.939	H11	C9	C12	108.543
C12	C14	H15	119.870	C12	C14	H16	120.712
H13	C12	C14	118.599	H15	C14	H16	119.418

All results from a given calculation for C₆H₁₀ (1,4-Hexadiene, (Z)-)

using model chemistry: MP2/TZVP

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 (1,4-Hexadiene, (Z)-)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₆H₁₀ (1,4-Hexadiene, (Z)-)