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	hartrees
Energy at 0K	-233.751340
Energy at 298.15K	-233.761212
HF Energy	-232.982353
Nuclear repulsion energy	216.345717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3307	3118	16.82
2	A'	3282	3095	2.03
3	A'	3209	3026	4.66
4	A'	3193	3011	28.80
5	A'	3192	3010	36.59
6	A'	3170	2990	2.32
7	A'	3110	2933	15.78
8	A'	3073	2898	23.95
9	A'	1747	1647	3.73
10	A'	1675	1580	0.56
11	A'	1578	1488	7.47
12	A'	1542	1455	3.81
13	A'	1515	1428	11.34
14	A'	1472	1388	3.58
15	A'	1439	1357	5.02
16	A'	1435	1353	1.29
17	A'	1359	1282	0.49
18	A'	1344	1267	5.89
19	A'	1212	1143	0.61
20	A'	1111	1048	4.06
21	A'	1080	1019	1.66
22	A'	961	906	2.47
23	A'	837	789	2.98
24	A'	729	687	1.60
25	A'	429	405	0.33
26	A'	280	264	1.99
27	A'	201	190	0.35
28	A"	3210	3027	21.75
29	A"	3109	2932	17.03
30	A"	1567	1478	6.41
31	A"	1344	1267	0.18
32	A"	1144	1079	3.04
33	A"	1032	974	16.28
34	A"	978	922	3.82
35	A"	910	859	37.35
36	A"	848	800	2.63
37	A"	772	728	5.38
38	A"	627	592	24.68
39	A"	399	376	0.03
40	A"	312	294	0.01
41	A"	99	93	0.18
42	A"	68	64	0.16

Atom	x (Å)	y (Å)	z (Å)
H1	-2.061	1.275	0.000
C2	-1.233	0.564	0.000
H3	0.036	2.206	0.000
C4	0.000	1.115	0.000
H5	1.376	-0.603	0.000
C6	1.313	0.479	0.000
H7	3.427	0.711	0.000
H8	2.447	2.279	0.000
C9	2.454	1.192	0.000
H10	-2.371	-0.984	0.871
H11	-2.371	-0.984	-0.871
C12	-1.711	-0.863	0.000
H13	-1.204	-2.956	0.000
H14	-0.050	-1.956	-0.887
H15	-0.050	-1.956	0.887
C16	-0.687	-1.992	0.000

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.0913	2.2939	2.0668	3.9161	3.4663	5.5162	4.6177	4.5157	2.4406	2.4406	2.1656	4.3164	3.9075	3.9075	3.5435
C2	1.0913		2.0751	1.3503	2.8577	2.5474	4.6619	4.0596	3.7402	2.1092	2.1092	1.5042	3.5197	2.9217	2.9217	2.6131
H3	2.2939	2.0751		1.0917	3.1124	2.1478	3.7057	2.4119	2.6225	4.0897	4.0897	3.5307	5.3086	4.2566	4.2566	4.2595
C4	2.0668	1.3503	1.0917		2.2010	1.4589	3.4505	2.7095	2.4555	3.2839	3.2839	2.6147	4.2450	3.1971	3.1971	3.1817
H5	3.9161	2.8577	3.1124	2.2010		1.0843	2.4362	3.0748	2.0943	3.8653	3.8653	3.0976	3.4916	2.1566	2.1566	2.4867
C6	3.4663	2.5474	2.1478	1.4589	1.0843		2.1263	2.1269	1.3454	4.0586	4.0586	3.3084	4.2589	2.9288	2.9288	3.1793
H7	5.5162	4.6619	3.7057	3.4505	2.4362	2.1263		1.8489	1.0847	6.1030	6.1030	5.3734	5.9072	4.4713	4.4713	4.9226
H8	4.6177	4.0596	2.4119	2.7095	3.0748	2.1269	1.8489		1.0871	5.8834	5.8834	5.2110	6.3822	4.9959	4.9959	5.2972
C9	4.5157	3.7402	2.6225	2.4555	2.0943	1.3454	1.0847	1.0871		5.3643	5.3643	4.6443	5.5308	4.1196	4.1196	4.4727
H10	2.4406	2.1092	4.0897	3.2839	3.8653	4.0586	6.1030	5.8834	5.3643		1.7412	1.0992	2.4510	3.0693	2.5163	2.1467
H11	2.4406	2.1092	4.0897	3.2839	3.8653	4.0586	6.1030	5.8834	5.3643	1.7412		1.0992	2.4510	2.5163	3.0693	2.1467
C12	2.1656	1.5042	3.5307	2.6147	3.0976	3.3084	5.3734	5.2110	4.6443	1.0992	1.0992		2.1539	2.1775	2.1775	1.5243
H13	4.3164	3.5197	5.3086	4.2450	3.4916	4.2589	5.9072	6.3822	5.5308	2.4510	2.4510	2.1539		1.7657	1.7657	1.0940
H14	3.9075	2.9217	4.2566	3.1971	2.1566	2.9288	4.4713	4.9959	4.1196	3.0693	2.5163	2.1775	1.7657		1.7740	1.0926
H15	3.9075	2.9217	4.2566	3.1971	2.1566	2.9288	4.4713	4.9959	4.1196	2.5163	3.0693	2.1775	1.7657	1.7740		1.0926
C16	3.5435	2.6131	4.2595	3.1817	2.4867	3.1793	4.9226	5.2972	4.4727	2.1467	2.1467	1.5243	1.0940	1.0926	1.0926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	115.254	H1	C2	C12	112.124
C2	C4	H3	115.966	C2	C4	C6	130.090
C2	C12	H10	107.202	C2	C12	H11	107.202
C2	C12	C16	119.271	H3	C4	C6	113.945
C4	C2	C12	132.622	C4	C6	H5	119.132
C4	C6	C9	122.189	H5	C6	C9	118.679
C6	C9	H7	121.717	C6	C9	H8	121.581
H7	C9	H8	116.702	H10	C12	H11	104.745
H10	C12	C16	108.742	H11	C12	C16	108.742
C12	C16	H13	109.602	C12	C16	H14	111.566
C12	C16	H15	111.566	H13	C16	H14	107.706
H13	C16	H15	107.706	H14	C16	H15	108.543

All results from a given calculation for C₆H₁₀ (1,3-Hexadiene, (Z)-)

using model chemistry: MP2/6-31G*

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 (1,3-Hexadiene, (Z)-)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for C₆H₁₀ (1,3-Hexadiene, (Z)-)