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	hartrees
Energy at 0K	-233.931125
Energy at 298.15K	-233.940887
HF Energy	-233.007053
Nuclear repulsion energy	216.599511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3114	20.71
2	A'	3320	3093	0.63
3	A'	3243	3021	10.75
4	A'	3239	3017	31.86
5	A'	3215	2995	4.02
6	A'	3210	2991	41.70
7	A'	3132	2917	20.38
8	A'	3103	2891	29.84
9	A'	1781	1659	6.50
10	A'	1706	1590	3.06
11	A'	1570	1463	7.30
12	A'	1534	1429	3.77
13	A'	1525	1420	11.87
14	A'	1477	1376	3.76
15	A'	1449	1350	0.72
16	A'	1441	1342	5.29
17	A'	1367	1274	0.26
18	A'	1344	1252	5.83
19	A'	1211	1128	0.66
20	A'	1111	1035	3.44
21	A'	1079	1005	1.65
22	A'	960	895	1.89
23	A'	835	778	3.36
24	A'	730	680	2.06
25	A'	431	402	0.40
26	A'	282	262	1.50
27	A'	200	186	0.28
28	A"	3223	3003	29.22
29	A"	3135	2920	15.66
30	A"	1555	1449	7.30
31	A"	1337	1246	0.75
32	A"	1139	1061	4.04
33	A"	1033	962	16.81
34	A"	986	919	6.80
35	A"	914	852	43.40
36	A"	842	784	5.70
37	A"	760	708	5.14
38	A"	619	577	28.53
39	A"	384	358	0.16
40	A"	294	274	0.12
41	A"	71	66	0.56
42	A"	41	38	0.03

Atom	x (Å)	y (Å)	z (Å)
H1	-2.055	1.285	0.000
C2	-1.232	0.578	0.000
H3	0.052	2.204	0.000
C4	0.000	1.120	0.000
H5	1.356	-0.612	0.000
C6	1.314	0.466	0.000
H7	3.422	0.671	0.000
H8	2.470	2.245	0.000
C9	2.462	1.163	0.000
H10	-2.369	-0.966	0.869
H11	-2.369	-0.966	-0.869
C12	-1.716	-0.850	0.000
H13	-1.209	-2.939	0.000
H14	-0.057	-1.947	-0.883
H15	-0.057	-1.947	0.883
C16	-0.692	-1.981	0.000

	H1	C2	H3	C4	H5	C6	H7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.0852	2.2980	2.0616	3.9036	3.4672	5.5116	4.6258	4.5182	2.4333	2.4333	2.1619	4.3080	3.9014	3.9014	3.5394
C2	1.0852		2.0715	1.3460	2.8489	2.5485	4.6554	4.0602	3.7396	2.1050	2.1050	1.5075	3.5168	2.9218	2.9218	2.6153
H3	2.2980	2.0715		1.0851	3.1037	2.1481	3.7029	2.4191	2.6252	4.0819	4.0819	3.5282	5.2949	4.2453	4.2453	4.2502
C4	2.0616	1.3460	1.0851		2.2001	1.4678	3.4517	2.7143	2.4619	3.2740	3.2740	2.6123	4.2351	3.1922	3.1922	3.1771
H5	3.9036	2.8489	3.1037	2.2001		1.0790	2.4323	3.0665	2.0912	3.8420	3.8420	3.0813	3.4634	2.1352	2.1352	2.4632
C6	3.4672	2.5485	2.1481	1.4678	1.0790		2.1184	2.1216	1.3427	4.0462	4.0462	3.3032	4.2378	2.9124	2.9124	3.1638
H7	5.5116	4.6554	3.7029	3.4517	2.4323	2.1184		1.8390	1.0794	6.0811	6.0811	5.3586	5.8724	4.4432	4.4432	4.8948
H8	4.6258	4.0602	2.4191	2.7143	3.0665	2.1216	1.8390		1.0817	5.8724	5.8724	5.2057	6.3567	4.9738	4.9738	5.2777
C9	4.5182	3.7396	2.6252	2.4619	2.0912	1.3427	1.0794	1.0817		5.3502	5.3502	4.6370	5.5045	4.0983	4.0983	4.4528
H10	2.4333	2.1050	4.0819	3.2740	3.8420	4.0462	6.0811	5.8724	5.3502		1.7370	1.0931	2.4480	3.0624	2.5121	2.1447
H11	2.4333	2.1050	4.0819	3.2740	3.8420	4.0462	6.0811	5.8724	5.3502	1.7370		1.0931	2.4480	2.5121	3.0624	2.1447
C12	2.1619	1.5075	3.5282	2.6123	3.0813	3.3032	5.3586	5.2057	4.6370	1.0931	1.0931		2.1495	2.1762	2.1762	1.5259
H13	4.3080	3.5168	5.2949	4.2351	3.4634	4.2378	5.8724	6.3567	5.5045	2.4480	2.4480	2.1495		1.7581	1.7581	1.0888
H14	3.9014	2.9218	4.2453	3.1922	2.1352	2.9124	4.4432	4.9738	4.0983	3.0624	2.5121	2.1762	1.7581		1.7662	1.0880
H15	3.9014	2.9218	4.2453	3.1922	2.1352	2.9124	4.4432	4.9738	4.0983	2.5121	3.0624	2.1762	1.7581	1.7662		1.0880
C16	3.5394	2.6153	4.2502	3.1771	2.4632	3.1638	4.8948	5.2777	4.4528	2.1447	2.1447	1.5259	1.0888	1.0880	1.0880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	115.568	H1	C2	C12	111.966
C2	C4	H3	116.470	C2	C4	C6	129.791
C2	C12	H10	107.003	C2	C12	H11	107.003
C2	C12	C16	119.123	H3	C4	C6	113.739
C4	C2	C12	132.465	C4	C6	H5	118.710
C4	C6	C9	122.260	H5	C6	C9	119.030
C6	C9	H7	121.618	C6	C9	H8	121.744
H7	C9	H8	116.638	H10	C12	H11	105.215
H10	C12	C16	108.822	H11	C12	C16	108.822
C12	C16	H13	109.455	C12	C16	H14	111.625
C12	C16	H15	111.625	H13	C16	H14	107.735
H13	C16	H15	107.735	H14	C16	H15	108.512

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

using model chemistry: MP3=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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