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	hartrees
Energy at 0K	-39.070899
Energy at 298.15K	-39.080367
HF Energy	-38.587363
Nuclear repulsion energy	117.696058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3249	3139	45.85
2	A	3161	3055	75.55
3	A	3157	3051	41.72
4	A	3142	3036	30.19
5	A	3127	3022	39.49
6	A	3116	3011	8.98
7	A	3110	3005	46.90
8	A	3089	2985	33.06
9	A	3033	2931	42.92
10	A	3027	2925	41.25
11	A	1674	1617	2.05
12	A	1651	1595	6.98
13	A	1532	1480	12.47
14	A	1516	1465	2.77
15	A	1506	1455	10.20
16	A	1461	1412	5.07
17	A	1459	1410	2.85
18	A	1419	1371	2.75
19	A	1373	1326	2.04
20	A	1320	1275	2.20
21	A	1292	1249	1.16
22	A	1244	1202	1.56
23	A	1137	1099	2.06
24	A	1095	1058	6.30
25	A	1081	1045	1.19
26	A	1022	987	19.08
27	A	997	963	15.93
28	A	975	943	4.43
29	A	938	906	0.25
30	A	914	883	5.65
31	A	858	829	3.89
32	A	835	807	48.40
33	A	732	708	48.07
34	A	620	599	10.54
35	A	547	528	18.58
36	A	524	506	4.01
37	A	378	365	0.62
38	A	290	281	0.07
39	A	208	201	0.30
40	A	116	112	0.08
41	A	108	104	0.26
42	A	38	37	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.976	0.796	-0.591
H2	2.968	0.515	-1.009
H3	1.233	0.788	-1.413
H4	2.057	1.841	-0.215
C5	1.575	-0.157	0.557
H6	2.262	-0.193	1.422
C7	0.434	-0.952	0.595
H8	0.254	-1.563	1.498
C9	-0.643	-1.034	-0.511
H10	-0.180	-0.919	-1.517
H11	-1.096	-2.051	-0.485
C12	-1.790	0.008	-0.363
H13	-2.674	-0.157	-1.006
C14	-1.767	1.108	0.487
H15	-2.622	1.803	0.526
H16	-0.911	1.314	1.147

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	C14	H15	H16
C1		1.1130	1.1086	1.1130	1.5450	2.2613	2.6158	3.5912	3.1964	2.9074	4.1904	3.8549	4.7657	3.9076	4.8381	3.4096
H2	1.1130		1.8027	1.7945	2.2017	2.6295	3.3394	4.2398	3.9612	3.4971	4.8353	4.8291	5.6828	5.0013	5.9390	4.5100
H3	1.1086	1.8027		1.7950	2.2112	3.1719	2.7744	3.8676	2.7659	2.2185	3.7874	3.2938	4.0404	3.5649	4.4328	3.3801
H4	1.1130	1.7945	1.7950		2.1956	2.6198	3.3305	4.2159	3.9548	3.7839	5.0163	4.2639	5.1962	3.9558	4.7374	3.3080
C5	1.5450	2.2017	2.2112	2.1956		1.1059	1.3912	2.1466	2.6130	2.8219	3.4361	3.4922	4.5275	3.5737	4.6322	2.9483
H6	2.2613	2.6295	3.1719	2.6198	1.1059		2.1455	2.4322	3.5896	3.8902	4.2858	4.4327	5.5017	4.3362	5.3523	3.5242
C7	2.6158	3.3394	2.7744	3.3305	1.3912	2.1455		1.1050	1.5459	2.1999	2.1715	2.6048	3.5856	3.0165	4.1152	2.6922
H8	3.5912	4.2398	3.8676	4.2159	2.1466	2.4322	1.1050		2.2629	3.1136	2.4482	3.1792	4.1013	3.4985	4.5326	3.1234
C9	3.1964	3.9612	2.7659	3.9548	2.6130	3.5896	1.5459	2.2629		1.1134	1.1143	1.5564	2.2671	2.6165	3.6109	2.8861
H10	2.9074	3.4971	2.2185	3.7839	2.8219	3.8902	2.1999	3.1136	1.1134		1.7846	2.1872	2.6577	3.2624	4.1890	3.5520
H11	4.1904	4.8353	3.7874	5.0163	3.4361	4.2858	2.1715	2.4482	1.1143	1.7846		2.1767	2.5204	3.3734	4.2673	3.7446
C12	3.8549	4.8291	3.2938	4.2639	3.4922	4.4327	2.6048	3.1792	1.5564	2.1872	2.1767		1.1058	1.3904	2.1690	2.1807
H13	4.7657	5.6828	4.0404	5.1962	4.5275	5.5017	3.5856	4.1013	2.2671	2.6577	2.5204	1.1058		2.1571	2.4881	3.1472
C14	3.9076	5.0013	3.5649	3.9558	3.5737	4.3362	3.0165	3.4985	2.6165	3.2624	3.3734	1.3904	2.1571		1.1027	1.0996
H15	4.8381	5.9390	4.4328	4.7374	4.6322	5.3523	4.1152	4.5326	3.6109	4.1890	4.2673	2.1690	2.4881	1.1027		1.8845
H16	3.4096	4.5100	3.3801	3.3080	2.9483	3.5242	2.6922	3.1234	2.8861	3.5520	3.7446	2.1807	3.1472	1.0996	1.8845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	116.103	C1	C5	C7	125.891
H2	C1	H3	108.476	H2	C1	H4	107.444
H2	C1	C5	110.809	H3	C1	H4	107.796
H3	C1	C5	111.823	H4	C1	C5	110.338
C5	C7	H8	118.165	C5	C7	C9	125.584
H6	C5	C7	118.004	C7	C9	H10	110.581
C7	C9	H11	108.344	C7	C9	C12	114.203
H8	C7	C9	116.229	C9	C12	H13	115.735
C9	C12	C14	125.127	H10	C9	H11	106.471
H10	C9	C12	108.884	H11	C9	C12	108.043
C12	C14	H15	120.477	C12	C14	H16	121.844
H13	C12	C14	119.132	H15	C14	H16	117.675

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

using model chemistry: MP2/CEP-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 (1,4-Hexadiene, (Z)-)

using model chemistry: MP2/CEP-31G

States and conformations

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