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	hartrees
Energy at 0K	-233.925597
Energy at 298.15K
HF Energy	-233.060089
Nuclear repulsion energy	216.989568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3295	3124	14.73
2	A'	3269	3099	1.87
3	A'	3191	3025	7.00
4	A'	3185	3019	28.34
5	A'	3172	3007	36.00
6	A'	3161	2996	2.64
7	A'	3089	2928	18.25
8	A'	3061	2902	26.37
9	A'	1718	1628	5.30
10	A'	1649	1563	2.01
11	A'	1538	1458	6.23
12	A'	1494	1416	1.60
13	A'	1490	1412	16.38
14	A'	1439	1364	3.38
15	A'	1415	1341	1.83
16	A'	1410	1336	3.88
17	A'	1341	1271	0.38
18	A'	1319	1250	6.34
19	A'	1193	1131	0.53
20	A'	1094	1037	3.34
21	A'	1064	1008	1.83
22	A'	947	897	2.14
23	A'	825	782	3.76
24	A'	720	683	1.91
25	A'	426	404	0.37
26	A'	277	262	1.59
27	A'	198	188	0.30
28	A"	3185	3019	23.17
29	A"	3096	2934	13.21
30	A"	1521	1442	7.55
31	A"	1311	1243	0.66
32	A"	1118	1060	3.79
33	A"	984	933	27.67
34	A"	872	827	1.40
35	A"	810	767	0.07
36	A"	758	718	24.19
37	A"	659	625	31.74
38	A"	549	520	12.76
39	A"	360	342	0.07
40	A"	231	219	0.01
41	A"	33	31	0.32
42	A"	87i	82i	0.02

Atom	x (Å)	y (Å)	z (Å)
H1	-1.835	-1.637	0.000
C2	-0.993	-1.075	0.000
H3	-2.025	0.683	0.000
C4	-1.103	0.259	0.000
H5	0.920	0.580	0.000
C6	0.000	1.047	0.000
H7	0.731	2.957	0.000
H8	-1.010	2.824	0.000
C9	-0.101	2.381	0.000
H10	0.374	-2.371	0.886
H11	0.374	-2.371	-0.886
C12	0.297	-1.741	0.000
H13	2.408	-1.258	0.000
H14	1.387	-0.119	-0.893
H15	1.387	-0.119	0.893
C16	1.448	-0.733	0.000

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.0128	2.3284	2.0330	3.5368	3.2519	5.2619	4.5371	4.3769	2.4911	2.4911	2.1345	4.2600	3.6721	3.6721	3.4051
C2	1.0128		2.0383	1.3381	2.5295	2.3427	4.3842	3.8986	3.5691	2.0824	2.0824	1.4520	3.4060	2.7157	2.7157	2.4644
H3	2.3284	2.0383		1.0153	2.9472	2.0574	3.5722	2.3693	2.5663	3.9840	3.9840	3.3568	4.8395	3.6170	3.6170	3.7501
C4	2.0330	1.3381	1.0153		2.0482	1.3553	3.2615	2.5666	2.3467	3.1440	3.1440	2.4410	3.8244	2.6717	2.6717	2.7361
H5	3.5368	2.5295	2.9472	2.0482		1.0322	2.3843	2.9598	2.0705	3.1292	3.1292	2.4032	2.3648	1.2261	1.2261	1.4145
C6	3.2519	2.3427	2.0574	1.3553	1.0322		2.0444	2.0436	1.3377	3.5512	3.5512	2.8040	3.3338	2.0202	2.0202	2.2942
H7	5.2619	4.3842	3.5722	3.2615	2.3843	2.0444		1.7452	1.0110	5.4128	5.4128	4.7177	4.5366	3.2693	3.2693	3.7584
H8	4.5371	3.8986	2.3693	2.5666	2.9598	2.0436	1.7452		1.0111	5.4490	5.4490	4.7483	5.3240	3.8991	3.8991	4.3229
C9	4.3769	3.5691	2.5663	2.3467	2.0705	1.3377	1.0110	1.0111		4.8576	4.8576	4.1413	4.4203	3.0433	3.0433	3.4775
H10	2.4911	2.0824	3.9840	3.1440	3.1292	3.5512	5.4128	5.4490	4.8576		1.7717	1.0899	2.4816	3.0431	2.4693	2.1497
H11	2.4911	2.0824	3.9840	3.1440	3.1292	3.5512	5.4128	5.4490	4.8576	1.7717		1.0899	2.4816	2.4693	3.0431	2.1497
C12	2.1345	1.4520	3.3568	2.4410	2.4032	2.8040	4.7177	4.7483	4.1413	1.0899	1.0899		2.1656	2.1485	2.1485	1.5300
H13	4.2600	3.4060	4.8395	3.8244	2.3648	3.3338	4.5366	5.3240	4.4203	2.4816	2.4816	2.1656		1.7711	1.7711	1.0949
H14	3.6721	2.7157	3.6170	2.6717	1.2261	2.0202	3.2693	3.8991	3.0433	3.0431	2.4693	2.1485	1.7711		1.7853	1.0848
H15	3.6721	2.7157	3.6170	2.6717	1.2261	2.0202	3.2693	3.8991	3.0433	2.4693	3.0431	2.1485	1.7711	1.7853		1.0848
C16	3.4051	2.4644	3.7501	2.7361	1.4145	2.2942	3.7584	4.3229	3.4775	2.1497	2.1497	1.5300	1.0949	1.0848	1.0848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	119.066	H1	C2	C12	118.916
C2	C4	H3	119.391	C2	C4	C6	120.867
C2	C12	H10	109.190	C2	C12	H11	109.190
C2	C12	C16	111.446	H3	C4	C6	119.742
C4	C2	C12	122.018	C4	C6	H5	117.521
C4	C6	C9	121.244	H5	C6	C9	121.235
C6	C9	H7	120.384	C6	C9	H8	120.291
H7	C9	H8	119.325	H10	C12	H11	108.733
H10	C12	C16	109.119	H11	C12	C16	109.119
C12	C16	H13	110.077	C12	C16	H14	109.320
C12	C16	H15	109.320	H13	C16	H14	108.688
H13	C16	H15	108.688	H14	C16	H15	110.737

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

using model chemistry: MP2/TZVP

States and conformations

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