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	hartrees
Energy at 0K	-233.802576
Energy at 298.15K	-233.812461
HF Energy	-232.982902
Nuclear repulsion energy	216.195958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3299	3097	21.55
2	A'	3280	3078	0.18
3	A'	3207	3010	7.06
4	A'	3197	3001	33.87
5	A'	3177	2982	37.36
6	A'	3174	2979	3.40
7	A'	3105	2914	16.68
8	A'	3071	2883	26.03
9	A'	1790	1680	3.94
10	A'	1713	1608	0.87
11	A'	1574	1477	8.06
12	A'	1546	1451	3.24
13	A'	1522	1429	11.16
14	A'	1479	1388	4.03
15	A'	1450	1361	2.01
16	A'	1444	1355	3.12
17	A'	1368	1284	0.32
18	A'	1350	1267	4.93
19	A'	1214	1139	0.71
20	A'	1114	1045	4.31
21	A'	1082	1016	1.28
22	A'	961	902	2.25
23	A'	836	785	2.66
24	A'	732	687	1.84
25	A'	432	406	0.35
26	A'	283	266	1.81
27	A'	202	189	0.32
28	A"	3193	2997	25.96
29	A"	3099	2909	19.00
30	A"	1563	1467	6.39
31	A"	1347	1264	0.21
32	A"	1148	1077	3.16
33	A"	1036	973	13.37
34	A"	992	931	5.01
35	A"	924	867	39.64
36	A"	851	799	2.95
37	A"	774	726	4.72
38	A"	629	590	24.56
39	A"	397	373	0.05
40	A"	313	294	0.01
41	A"	94	89	0.14
42	A"	68	64	0.14

Atom	x (Å)	y (Å)	z (Å)
H1	-2.054	1.271	0.000
C2	-1.226	0.560	0.000
H3	0.033	2.204	0.000
C4	0.000	1.113	0.000
H5	1.402	-0.593	0.000
C6	1.327	0.488	0.000
H7	3.434	0.749	0.000
H8	2.433	2.302	0.000
C9	2.454	1.215	0.000
H10	-2.375	-0.984	0.871
H11	-2.375	-0.984	-0.871
C12	-1.713	-0.869	0.000
H13	-1.227	-2.971	0.000
H14	-0.062	-1.985	-0.888
H15	-0.062	-1.985	0.888
C16	-0.700	-2.012	0.000

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.0908	2.2857	2.0600	3.9260	3.4707	5.5131	4.6041	4.5086	2.4387	2.4387	2.1665	4.3216	3.9187	3.9187	3.5510
C2	1.0908		2.0703	1.3453	2.8698	2.5547	4.6647	4.0529	3.7384	2.1124	2.1124	1.5097	3.5311	2.9362	2.9362	2.6254
H3	2.2857	2.0703		1.0909	3.1132	2.1490	3.6995	2.4025	2.6156	4.0886	4.0886	3.5338	5.3255	4.2822	4.2822	4.2783
C4	2.0600	1.3453	1.0909		2.2077	1.4671	3.4536	2.7080	2.4563	3.2858	3.2858	2.6198	4.2643	3.2231	3.2231	3.2021
H5	3.9260	2.8698	3.1132	2.2077		1.0832	2.4356	3.0727	2.0915	3.8950	3.8950	3.1272	3.5448	2.2061	2.2061	2.5354
C6	3.4707	2.5547	2.1490	1.4671	1.0832		2.1232	2.1243	1.3409	4.0780	4.0780	3.3296	4.2998	2.9718	2.9718	3.2181
H7	5.5131	4.6647	3.6995	3.4536	2.4356	2.1232		1.8475	1.0851	6.1243	6.1243	5.3960	5.9637	4.5258	4.5258	4.9709
H8	4.6041	4.0529	2.4025	2.7080	3.0727	2.1243	1.8475		1.0873	5.8883	5.8883	5.2198	6.4185	5.0384	5.0384	5.3309
C9	4.5086	3.7384	2.6156	2.4563	2.0915	1.3409	1.0851	1.0873		5.3769	5.3769	4.6594	5.5741	4.1657	4.1657	4.5116
H10	2.4387	2.1124	4.0886	3.2858	3.8950	4.0780	6.1243	5.8883	5.3769		1.7413	1.0994	2.4538	3.0728	2.5200	2.1493
H11	2.4387	2.1124	4.0886	3.2858	3.8950	4.0780	6.1243	5.8883	5.3769	1.7413		1.0994	2.4538	2.5200	3.0728	2.1493
C12	2.1665	1.5097	3.5338	2.6198	3.1272	3.3296	5.3960	5.2198	4.6594	1.0994	1.0994		2.1577	2.1821	2.1821	1.5279
H13	4.3216	3.5311	5.3255	4.2643	3.5448	4.2998	5.9637	6.4185	5.5741	2.4538	2.4538	2.1577		1.7660	1.7660	1.0947
H14	3.9187	2.9362	4.2822	3.2231	2.2061	2.9718	4.5258	5.0384	4.1657	3.0728	2.5200	2.1821	1.7660		1.7756	1.0935
H15	3.9187	2.9362	4.2822	3.2231	2.2061	2.9718	4.5258	5.0384	4.1657	2.5200	3.0728	2.1821	1.7660	1.7756		1.0935
C16	3.5510	2.6254	4.2783	3.2021	2.5354	3.2181	4.9709	5.3309	4.5116	2.1493	2.1493	1.5279	1.0947	1.0935	1.0935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	115.082	H1	C2	C12	111.836
C2	C4	H3	115.988	C2	C4	C6	130.517
C2	C12	H10	107.075	C2	C12	H11	107.075
C2	C12	C16	119.605	H3	C4	C6	113.495
C4	C2	C12	133.082	C4	C6	H5	119.155
C4	C6	C9	121.971	H5	C6	C9	118.874
C6	C9	H7	121.777	C6	C9	H8	121.705
H7	C9	H8	116.518	H10	C12	H11	104.740
H10	C12	C16	108.686	H11	C12	C16	108.686
C12	C16	H13	109.611	C12	C16	H14	111.628
C12	C16	H15	111.628	H13	C16	H14	107.623
H13	C16	H15	107.623	H14	C16	H15	108.564

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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