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	hartrees
Energy at 0K	-232.228925
Energy at 298.15K	-232.238779
HF Energy	-231.687930
Nuclear repulsion energy	215.088014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3267	3108	19.77
2	A'	3243	3085	0.42
3	A'	3167	3012	5.74
4	A'	3152	2999	33.63
5	A'	3148	2995	33.74
6	A'	3119	2968	3.65
7	A'	3086	2936	14.83
8	A'	3057	2908	17.92
9	A'	1695	1613	1.97
10	A'	1646	1566	0.79
11	A'	1612	1533	7.12
12	A'	1578	1501	2.59
13	A'	1535	1460	10.92
14	A'	1492	1420	4.35
15	A'	1468	1397	0.66
16	A'	1432	1362	2.97
17	A'	1386	1318	0.15
18	A'	1369	1302	4.74
19	A'	1203	1145	0.13
20	A'	1115	1061	4.10
21	A'	1060	1009	3.01
22	A'	936	891	1.49
23	A'	795	756	1.92
24	A'	729	694	1.68
25	A'	436	415	0.16
26	A'	286	272	1.66
27	A'	205	195	0.32
28	A"	3176	3022	22.56
29	A"	3084	2934	14.93
30	A"	1607	1529	5.51
31	A"	1375	1308	0.06
32	A"	1172	1115	2.99
33	A"	1039	989	16.11
34	A"	999	951	6.92
35	A"	942	896	43.88
36	A"	862	820	1.30
37	A"	781	743	7.67
38	A"	627	597	32.60
39	A"	395	376	0.14
40	A"	313	297	0.03
41	A"	86	82	0.17
42	A"	44	41	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	-2.067	1.288	0.000
C2	-1.238	0.576	0.000
H3	0.045	2.215	0.000
C4	0.000	1.122	0.000
H5	1.390	-0.601	0.000
C6	1.329	0.481	0.000
H7	3.448	0.724	0.000
H8	2.462	2.287	0.000
C9	2.472	1.199	0.000
H10	-2.385	-0.990	0.879
H11	-2.385	-0.990	-0.879
C12	-1.734	-0.868	0.000
H13	-1.212	-2.978	0.000
H14	-0.059	-1.969	-0.891
H15	-0.059	-1.969	0.891
C16	-0.691	-2.013	0.000

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.0922	2.3065	2.0737	3.9392	3.4908	5.5442	4.6381	4.5402	2.4619	2.4619	2.1807	4.3502	3.9286	3.9286	3.5761
C2	1.0922		2.0813	1.3535	2.8798	2.5693	4.6892	4.0769	3.7626	2.1308	2.1308	1.5264	3.5540	2.9434	2.9434	2.6465
H3	2.3065	2.0813		1.0933	3.1205	2.1579	3.7156	2.4182	2.6312	4.1168	4.1168	3.5589	5.3426	4.2790	4.2790	4.2915
C4	2.0737	1.3535	1.0933		2.2140	1.4760	3.4713	2.7237	2.4734	3.3051	3.3051	2.6396	4.2757	3.2180	3.2180	3.2108
H5	3.9392	2.8798	3.1205	2.2140		1.0833	2.4482	3.0809	2.1005	3.8955	3.8955	3.1356	3.5244	2.1830	2.1830	2.5150
C6	3.4908	2.5693	2.1579	1.4760	1.0833		2.1332	2.1325	1.3501	4.0905	4.0905	3.3471	4.2919	2.9534	2.9534	3.2095
H7	5.5442	4.6892	3.7156	3.4713	2.4482	2.1332		1.8483	1.0856	6.1435	6.1435	5.4217	5.9522	4.5112	4.5112	4.9629
H8	4.6381	4.0769	2.4182	2.7237	3.0809	2.1325	1.8483		1.0882	5.9168	5.9168	5.2500	6.4205	5.0266	5.0266	5.3326
C9	4.5402	3.7626	2.6312	2.4734	2.1005	1.3501	1.0856	1.0882		5.4000	5.4000	4.6869	5.5699	4.1521	4.1521	4.5085
H10	2.4619	2.1308	4.1168	3.3051	3.8955	4.0905	6.1435	5.9168	5.4000		1.7570	1.1002	2.4695	3.0827	2.5240	2.1653
H11	2.4619	2.1308	4.1168	3.3051	3.8955	4.0905	6.1435	5.9168	5.4000	1.7570		1.1002	2.4695	2.5240	3.0827	2.1653
C12	2.1807	1.5264	3.5589	2.6396	3.1356	3.3471	5.4217	5.2500	4.6869	1.1002	1.1002		2.1739	2.1944	2.1944	1.5495
H13	4.3502	3.5540	5.3426	4.2757	3.5244	4.2919	5.9522	6.4205	5.5699	2.4695	2.4695	2.1739		1.7727	1.7727	1.0964
H14	3.9286	2.9434	4.2790	3.2180	2.1830	2.9534	4.5112	5.0266	4.1521	3.0827	2.5240	2.1944	1.7727		1.7827	1.0937
H15	3.9286	2.9434	4.2790	3.2180	2.1830	2.9534	4.5112	5.0266	4.1521	2.5240	3.0827	2.1944	1.7727	1.7827		1.0937
C16	3.5761	2.6465	4.2915	3.2108	2.5150	3.2095	4.9629	5.3326	4.5085	2.1653	2.1653	1.5495	1.0964	1.0937	1.0937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	115.550	H1	C2	C12	111.687
C2	C4	H3	116.151	C2	C4	C6	130.427
C2	C12	H10	107.312	C2	C12	H11	107.312
C2	C12	C16	118.719	H3	C4	C6	113.422
C4	C2	C12	132.762	C4	C6	H5	118.985
C4	C6	C9	122.073	H5	C6	C9	118.942
C6	C9	H7	121.902	C6	C9	H8	121.616
H7	C9	H8	116.482	H10	C12	H11	105.971
H10	C12	C16	108.418	H11	C12	C16	108.418
C12	C16	H13	109.296	C12	C16	H14	111.063
C12	C16	H15	111.063	H13	C16	H14	108.074
H13	C16	H15	108.074	H14	C16	H15	109.175

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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