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	hartrees
Energy at 0K	-233.060037
Energy at 298.15K	-233.070047
HF Energy	-233.060037
Nuclear repulsion energy	216.868143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3151	16.97
2	A'	3245	3126	0.62
3	A'	3173	3057	6.08
4	A'	3164	3048	26.12
5	A'	3141	3026	32.05
6	A'	3139	3023	2.17
7	A'	3072	2959	14.73
8	A'	3032	2920	18.84
9	A'	1738	1674	8.44
10	A'	1682	1620	2.05
11	A'	1573	1515	11.24
12	A'	1527	1471	3.95
13	A'	1517	1462	20.12
14	A'	1462	1408	7.00
15	A'	1454	1400	3.08
16	A'	1418	1366	2.65
17	A'	1369	1319	0.12
18	A'	1355	1306	9.79
19	A'	1206	1162	0.22
20	A'	1105	1064	5.58
21	A'	1078	1038	5.19
22	A'	953	918	3.11
23	A'	817	787	5.29
24	A'	738	711	1.83
25	A'	440	424	0.27
26	A'	288	277	2.44
27	A'	204	196	0.54
28	A"	3156	3040	19.32
29	A"	3055	2943	11.84
30	A"	1572	1515	9.25
31	A"	1354	1304	0.04
32	A"	1141	1099	4.19
33	A"	1066	1027	14.10
34	A"	1024	986	0.73
35	A"	963	928	71.23
36	A"	855	823	1.42
37	A"	787	758	4.90
38	A"	641	617	42.20
39	A"	401	386	0.03
40	A"	321	309	0.04
41	A"	115	111	0.36
42	A"	67	65	0.22

Atom	x (Å)	y (Å)	z (Å)
H1	-1.838	-1.635	0.000
C2	-0.995	-1.073	0.000
H3	-2.025	0.686	0.000
C4	-1.103	0.261	0.000
H5	0.921	0.578	0.000
C6	0.000	1.049	0.000
H7	0.737	2.957	0.000
H8	-1.005	2.830	0.000
C9	-0.096	2.383	0.000
H10	0.370	-2.375	0.887
H11	0.370	-2.375	-0.887
C12	0.294	-1.743	0.000
H13	2.409	-1.263	0.000
H14	1.389	-0.122	-0.894
H15	1.389	-0.122	0.894
C16	1.448	-0.736	0.000

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.0131	2.3292	2.0337	3.5375	3.2538	5.2654	4.5423	4.3802	2.4924	2.4924	2.1352	4.2633	3.6748	3.6748	3.4074
C2	1.0131		2.0388	1.3383	2.5298	2.3445	4.3871	3.9031	3.5718	2.0846	2.0846	1.4532	3.4094	2.7183	2.7183	2.4669
H3	2.3292	2.0388		1.0156	2.9482	2.0574	3.5757	2.3740	2.5691	3.9868	3.9868	3.3588	4.8434	3.6205	3.6205	3.7534
C4	2.0337	1.3383	1.0156		2.0488	1.3560	3.2645	2.5710	2.3494	3.1467	3.1467	2.4429	3.8280	2.6749	2.6749	2.7391
H5	3.5375	2.5298	2.9482	2.0488		1.0346	2.3865	2.9629	2.0725	3.1316	3.1316	2.4045	2.3670	1.2280	1.2280	1.4160
C6	3.2538	2.3445	2.0574	1.3560	1.0346		2.0454	2.0443	1.3377	3.5562	3.5562	2.8081	3.3390	2.0249	2.0249	2.2991
H7	5.2654	4.3871	3.5757	3.2645	2.3865	2.0454		1.7460	1.0117	5.4176	5.4176	4.7215	4.5396	3.2722	3.2722	3.7616
H8	4.5423	3.9031	2.3740	2.5710	2.9629	2.0443	1.7460		1.0118	5.4554	5.4554	4.7539	5.3293	3.9040	3.9040	4.3282
C9	4.3802	3.5718	2.5691	2.3494	2.0725	1.3377	1.0117	1.0118		4.8625	4.8625	4.1453	4.4242	3.0469	3.0469	3.4813
H10	2.4924	2.0846	3.9868	3.1467	3.1316	3.5562	5.4176	5.4554	4.8625		1.7741	1.0914	2.4851	3.0466	2.4719	2.1523
H11	2.4924	2.0846	3.9868	3.1467	3.1316	3.5562	5.4176	5.4554	4.8625	1.7741		1.0914	2.4851	2.4719	3.0466	2.1523
C12	2.1352	1.4532	3.3588	2.4429	2.4045	2.8081	4.7215	4.7539	4.1453	1.0914	1.0914		2.1684	2.1508	2.1508	1.5318
H13	4.2633	3.4094	4.8434	3.8280	2.3670	3.3390	4.5396	5.3293	4.4242	2.4851	2.4851	2.1684		1.7722	1.7722	1.0954
H14	3.6748	2.7183	3.6205	2.6749	1.2280	2.0249	3.2722	3.9040	3.0469	3.0466	2.4719	2.1508	1.7722		1.7876	1.0861
H15	3.6748	2.7183	3.6205	2.6749	1.2280	2.0249	3.2722	3.9040	3.0469	2.4719	3.0466	2.1508	1.7722	1.7876		1.0861
C16	3.4074	2.4669	3.7534	2.7391	1.4160	2.2991	3.7616	4.3282	3.4813	2.1523	2.1523	1.5318	1.0954	1.0861	1.0861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	119.088	H1	C2	C12	118.847
C2	C4	H3	119.388	C2	C4	C6	120.955
C2	C12	H10	109.196	C2	C12	H11	109.196
C2	C12	C16	111.439	H3	C4	C6	119.657
C4	C2	C12	122.065	C4	C6	H5	117.336
C4	C6	C9	121.428	H5	C6	C9	121.237
C6	C9	H7	120.421	C6	C9	H8	120.304
H7	C9	H8	119.275	H10	C12	H11	108.741
H10	C12	C16	109.113	H11	C12	C16	109.113
C12	C16	H13	110.143	C12	C16	H14	109.304
C12	C16	H15	109.304	H13	C16	H14	108.658
H13	C16	H15	108.658	H14	C16	H15	110.764

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

using model chemistry: HSEh1PBE/3-21G

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: HSEh1PBE/3-21G

States and conformations

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