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	hartrees
Energy at 0K	-233.908851
Energy at 298.15K	-233.918458
HF Energy	-233.039331
Nuclear repulsion energy	220.703303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3283	3119	10.12
2	A	3199	3040	33.97
3	A	3189	3030	12.83
4	A	3182	3023	13.03
5	A	3172	3014	17.99
6	A	3169	3011	0.20
7	A	3139	2983	15.30
8	A	3107	2953	14.79
9	A	3070	2917	20.25
10	A	3066	2914	23.97
11	A	1714	1629	2.12
12	A	1691	1607	8.49
13	A	1518	1442	8.67
14	A	1503	1428	1.34
15	A	1494	1420	12.02
16	A	1449	1377	4.50
17	A	1440	1368	4.98
18	A	1406	1336	2.85
19	A	1353	1285	1.81
20	A	1318	1252	2.09
21	A	1286	1222	0.71
22	A	1235	1174	1.42
23	A	1133	1076	1.55
24	A	1094	1039	6.53
25	A	1066	1013	1.87
26	A	1030	979	20.72
27	A	1007	957	2.28
28	A	979	931	1.09
29	A	972	923	0.16
30	A	933	886	3.19
31	A	907	862	29.95
32	A	879	835	1.86
33	A	735	698	30.99
34	A	622	591	6.54
35	A	548	520	10.23
36	A	531	504	6.63
37	A	391	371	0.35
38	A	299	284	0.04
39	A	213	202	0.18
40	A	123	117	0.03
41	A	115	109	0.20
42	A	38	36	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	1.935	0.767	-0.576
H2	2.871	0.429	-1.035
H3	1.169	0.828	-1.351
H4	2.108	1.780	-0.198
C5	1.530	-0.143	0.549
H6	2.200	-0.176	1.406
C7	0.425	-0.909	0.586
H8	0.240	-1.496	1.484
C9	-0.615	-0.996	-0.498
H10	-0.154	-0.872	-1.486
H11	-1.049	-2.004	-0.497
C12	-1.740	0.008	-0.363
H13	-2.590	-0.144	-1.027
C14	-1.749	1.053	0.476
H15	-2.592	1.735	0.504
H16	-0.920	1.238	1.152

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	C14	H15	H16
C1		1.0959	1.0917	1.0952	1.5023	2.2110	2.5376	3.4986	3.1008	2.8072	4.0724	3.7582	4.6380	3.8417	4.7537	3.3702
H2	1.0959		1.7766	1.7630	2.1525	2.6029	3.2249	4.1201	3.8037	3.3237	4.6441	4.6782	5.4910	4.9003	5.8239	4.4506
H3	1.0917	1.7766		1.7663	2.1634	3.1103	2.7058	3.7817	2.6894	2.1581	3.6960	3.1790	3.8959	3.4496	4.2903	3.2855
H4	1.0952	1.7630	1.7663		2.1430	2.5317	3.2681	4.1302	3.9002	3.7166	4.9370	4.2396	5.1446	3.9827	4.7529	3.3596
C5	1.5023	2.1525	2.1634	2.1430		1.0895	1.3445	2.0905	2.5337	2.7396	3.3468	3.3972	4.4106	3.4904	4.5296	2.8763
H6	2.2110	2.6029	3.1103	2.5317	1.0895		2.0884	2.3652	3.4961	3.7939	4.1857	4.3228	5.3731	4.2390	5.2376	3.4353
C7	2.5376	3.2249	2.7058	3.2681	1.3445	2.0884		1.0887	1.5047	2.1520	2.1317	2.5353	3.5041	2.9300	4.0123	2.5961
H8	3.4986	4.1201	3.7817	4.1302	2.0905	2.3652	1.0887		2.2155	3.0603	2.4172	3.0970	4.0175	3.3862	4.4066	2.9889
C9	3.1008	3.8037	2.6894	3.9002	2.5337	3.4961	1.5047	2.2155		1.0973	1.0973	1.5135	2.2150	2.5355	3.5166	2.7936
H10	2.8072	3.3237	2.1581	3.7166	2.7396	3.7939	2.1520	3.0603	1.0973		1.7485	2.1331	2.5834	3.1775	4.0863	3.4638
H11	4.0724	4.6441	3.6960	4.9370	3.3468	4.1857	2.1317	2.4172	1.0973	1.7485		2.1313	2.4724	3.2828	4.1662	3.6394
C12	3.7582	4.6782	3.1790	4.2396	3.3972	4.3228	2.5353	3.0970	1.5135	2.1331	2.1313		1.0899	1.3395	2.1114	2.1163
H13	4.6380	5.4910	3.8959	5.1446	4.4106	5.3731	3.5041	4.0175	2.2150	2.5834	2.4724	1.0899		2.0976	2.4236	3.0738
C14	3.8417	4.9003	3.4496	3.9827	3.4904	4.2390	2.9300	3.3862	2.5355	3.1775	3.2828	1.3395	2.0976		1.0850	1.0853
H15	4.7537	5.8239	4.2903	4.7529	4.5296	5.2376	4.0123	4.4066	3.5166	4.0863	4.1662	2.1114	2.4236	1.0850		1.8607
H16	3.3702	4.4506	3.2855	3.3596	2.8763	3.4353	2.5961	2.9889	2.7936	3.4638	3.6394	2.1163	3.0738	1.0853	1.8607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	116.183	C1	C5	C7	126.007
H2	C1	H3	108.614	H2	C1	H4	107.151
H2	C1	C5	110.916	H3	C1	H4	107.734
H3	C1	C5	112.053	H4	C1	C5	110.196
C5	C7	H8	118.064	C5	C7	C9	125.469
H6	C5	C7	117.810	C7	C9	H10	110.621
C7	C9	H11	109.017	C7	C9	C12	114.276
H8	C7	C9	116.437	C9	C12	H13	115.637
C9	C12	C14	125.310	H10	C9	H11	105.640
H10	C9	C12	108.527	H11	C9	C12	108.383
C12	C14	H15	120.753	C12	C14	H16	121.204
H13	C12	C14	119.042	H15	C14	H16	118.042

All results from a given calculation for C₆H₁₀ (1,4-Hexadiene, (Z)-)

using model chemistry: MP2/6-311G**

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 (1,4-Hexadiene, (Z)-)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for C₆H₁₀ (1,4-Hexadiene, (Z)-)