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	hartrees
Energy at 0K	-232.239246
Energy at 298.15K	-232.248663
HF Energy	-231.699202
Nuclear repulsion energy	209.657436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3029	52.24
2	A'	3171	3017	2.34
3	A'	3162	3008	23.81
4	A'	3156	3002	8.15
5	A'	3141	2988	2.39
6	A'	3139	2986	4.79
7	A'	3077	2927	17.54
8	A'	3069	2920	21.50
9	A'	1703	1620	0.95
10	A'	1660	1579	0.63
11	A'	1596	1518	7.02
12	A'	1589	1512	9.03
13	A'	1493	1421	7.65
14	A'	1492	1419	0.57
15	A'	1488	1415	5.86
16	A'	1391	1324	0.65
17	A'	1376	1309	0.92
18	A'	1333	1268	0.84
19	A'	1196	1138	2.41
20	A'	1125	1070	1.04
21	A'	1053	1001	2.79
22	A'	960	914	12.90
23	A'	908	864	4.62
24	A'	617	587	4.57
25	A'	474	451	0.07
26	A'	334	317	1.30
27	A'	157	149	0.32
28	A"	3130	2977	22.28
29	A"	3129	2977	16.32
30	A"	1589	1512	6.93
31	A"	1584	1507	5.64
32	A"	1127	1072	0.26
33	A"	1125	1070	0.15
34	A"	1018	969	26.55
35	A"	983	935	17.16
36	A"	830	790	12.04
37	A"	724	689	21.05
38	A"	437	416	5.11
39	A"	197	187	0.80
40	A"	190	181	0.82
41	A"	105	100	0.06
42	A"	89	85	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.316	2.983	0.000
H2	1.385	2.740	0.000
H3	0.100	3.592	0.886
H4	0.100	3.592	-0.886
C5	1.049	-2.506	0.000
H6	1.750	-1.667	0.000
H7	1.249	-3.122	-0.886
H8	1.249	-3.122	0.886
C9	-0.397	-2.032	0.000
H10	-1.141	-2.827	0.000
C11	-0.832	-0.752	0.000
H12	-1.910	-0.577	0.000
C13	0.000	0.463	0.000
H14	1.084	0.344	0.000
C15	-0.514	1.712	0.000
H16	-1.598	1.843	0.000

	C1	H2	H3	H4	C5	H6	H7	H8	C9	H10	C11	H12	C13	H14	C15	H16
C1		1.0962	1.0971	1.0971	5.5378	4.8664	6.2386	6.2386	5.0655	5.9903	3.9072	4.1990	2.5398	2.7481	1.5184	2.2279
H2	1.0962		1.7786	1.7786	5.2574	4.4230	5.9300	5.9300	5.0943	6.1142	4.1366	4.6761	2.6657	2.4152	2.1601	3.1152
H3	1.0971	1.7786		1.7721	6.2353	5.5835	7.0384	6.8117	5.7156	6.5985	4.5305	4.7129	3.2542	3.5079	2.1678	2.5939
H4	1.0971	1.7786	1.7721		6.2353	5.5835	6.8117	7.0384	5.7156	6.5985	4.5305	4.7129	3.2542	3.5079	2.1678	2.5939
C5	5.5378	5.2574	6.2353	6.2353		1.0935	1.0971	1.0971	1.5209	2.2132	2.5720	3.5318	3.1488	2.8506	4.4981	5.0908
H6	4.8664	4.4230	5.5835	5.5835	1.0935		1.7747	1.7747	2.1775	3.1153	2.7398	3.8190	2.7570	2.1191	4.0676	4.8507
H7	6.2386	5.9300	7.0384	6.8117	1.0971	1.7747		1.7716	2.1636	2.5665	3.2762	4.1521	3.8979	3.5809	5.2206	5.7909
H8	6.2386	5.9300	6.8117	7.0384	1.0971	1.7747	1.7716		2.1636	2.5665	3.2762	4.1521	3.8979	3.5809	5.2206	5.7909
C9	5.0655	5.0943	5.7156	5.7156	1.5209	2.1775	2.1636	2.1636		1.0894	1.3524	2.0993	2.5263	2.7997	3.7457	4.0567
H10	5.9903	6.1142	6.5985	6.5985	2.2132	3.1153	2.5665	2.5665	1.0894		2.0985	2.3778	3.4825	3.8742	4.5821	4.6923
C11	3.9072	4.1366	4.5305	4.5305	2.5720	2.7398	3.2762	3.2762	1.3524	2.0985		1.0919	1.4723	2.2072	2.4838	2.7051
H12	4.1990	4.6761	4.7129	4.7129	3.5318	3.8190	4.1521	4.1521	2.0993	2.3778	1.0919		2.1749	3.1324	2.6810	2.4401
C13	2.5398	2.6657	3.2542	3.2542	3.1488	2.7570	3.8979	3.8979	2.5263	3.4825	1.4723	2.1749		1.0903	1.3505	2.1111
H14	2.7481	2.4152	3.5079	3.5079	2.8506	2.1191	3.5809	3.5809	2.7997	3.8742	2.2072	3.1324	1.0903		2.1032	3.0719
C15	1.5184	2.1601	2.1678	2.1678	4.4981	4.0676	5.2206	5.2206	3.7457	4.5821	2.4838	2.6810	1.3505	2.1032		1.0915
H16	2.2279	3.1152	2.5939	2.5939	5.0908	4.8507	5.7909	5.7909	4.0567	4.6923	2.7051	2.4401	2.1111	3.0719	1.0915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C15	C13	124.470	C1	C15	H16	116.258
H2	C1	H3	108.382	H2	C1	H4	108.382
H2	C1	C15	110.371	H3	C1	H4	107.739
H3	C1	C15	110.933	H4	C1	C15	110.933
C5	C9	H10	114.958	C5	C9	C11	126.946
H6	C5	H7	108.220	H6	C5	H8	108.220
H6	C5	C9	111.749	H7	C5	H8	107.686
H7	C5	C9	110.418	H8	C5	C9	110.418
C9	C11	H12	117.977	C9	C11	C13	126.801
H10	C9	C11	118.096	C11	C13	H14	118.163
C11	C13	C15	123.208	H12	C11	C13	115.222
C13	C15	H16	119.272	H14	C13	C15	118.629

All results from a given calculation for C₆H₁₀ (2,4-Hexadiene, (E,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 (2,4-Hexadiene, (E,Z)-)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₆H₁₀ (2,4-Hexadiene, (E,Z)-)