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	hartrees
Energy at 0K	-233.964498
Energy at 298.15K	-233.974344
HF Energy	-233.020364
Nuclear repulsion energy	213.475418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3127	6.53
2	A'	3223	3044	10.42
3	A'	3214	3036	1.20
4	A'	3204	3026	9.44
5	A'	3202	3024	18.53
6	A'	3189	3012	13.46
7	A'	3108	2935	13.01
8	A'	3082	2911	20.00
9	A'	1724	1628	9.96
10	A'	1665	1572	2.09
11	A'	1538	1453	4.17
12	A'	1502	1419	3.23
13	A'	1467	1386	2.22
14	A'	1429	1350	5.70
15	A'	1388	1311	12.04
16	A'	1346	1271	3.99
17	A'	1326	1252	0.75
18	A'	1295	1223	0.34
19	A'	1212	1144	3.51
20	A'	1119	1057	2.96
21	A'	1047	989	2.29
22	A'	962	909	1.62
23	A'	911	860	1.68
24	A'	566	534	2.79
25	A'	467	441	0.39
26	A'	310	293	0.41
27	A'	151	142	0.58
28	A"	3202	3024	16.57
29	A"	3121	2948	10.55
30	A"	1529	1444	6.29
31	A"	1303	1231	0.07
32	A"	1112	1050	1.14
33	A"	1066	1007	32.45
34	A"	1006	950	3.77
35	A"	931	879	31.97
36	A"	873	825	0.47
37	A"	774	731	6.14
38	A"	646	610	0.55
39	A"	315	298	1.26
40	A"	243	229	0.47
41	A"	158	149	0.78
42	A"	112	106	0.19

Atom	x (Å)	y (Å)	z (Å)
H1	-0.051	3.953	0.000
H2	1.417	2.830	0.000
C3	0.339	2.945	0.000
H4	-1.548	2.022	0.000
C5	-0.470	1.876	0.000
H6	1.076	0.356	0.000
C7	0.000	0.501	0.000
H8	-1.897	-0.370	0.000
C9	-0.825	-0.559	0.000
H10	-0.867	-2.492	0.870
H11	-0.867	-2.492	-0.870
C12	-0.415	-2.002	0.000
H13	1.308	-3.311	0.000
H14	1.558	-1.804	-0.883
H15	1.558	-1.804	0.883
C16	1.090	-2.242	0.000

	H1	H2	C3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.8486	1.0817	2.4433	2.1193	3.7697	3.4524	4.7005	4.5784	6.5544	6.5544	5.9660	7.3901	6.0423	6.0423	6.2997
H2	1.8486		1.0837	3.0731	2.1151	2.4974	2.7263	4.6068	4.0639	5.8566	5.8566	5.1678	6.1420	4.7193	4.7193	5.0831
C3	1.0817	1.0837		2.1007	1.3410	2.6913	2.4668	3.9983	3.6923	5.6362	5.6362	5.0035	6.3299	4.9809	4.9809	5.2408
H4	2.4433	3.0731	2.1007		1.0872	3.1082	2.1698	2.4171	2.6807	4.6468	4.6468	4.1798	6.0493	5.0058	5.0058	5.0139
C5	2.1193	2.1151	1.3410	1.0872		2.1684	1.4529	2.6603	2.4608	4.4710	4.4710	3.8779	5.4831	4.2932	4.2932	4.4037
H6	3.7697	2.4974	2.6913	3.1082	2.1684		1.0862	3.0605	2.1100	3.5561	3.5561	2.7902	3.6742	2.3823	2.3823	2.5985
C7	3.4524	2.7263	2.4668	2.1698	1.4529	1.0862		2.0872	1.3435	3.2353	3.2353	2.5371	4.0302	2.9186	2.9186	2.9520
H8	4.7005	4.6068	3.9983	2.4171	2.6603	3.0605	2.0872		1.0888	2.5137	2.5137	2.2038	4.3498	3.8430	3.8430	3.5249
C9	4.5784	4.0639	3.6923	2.6807	2.4608	2.1100	1.3435	1.0888		2.1196	2.1196	1.4992	3.4812	2.8290	2.8290	2.5489
H10	6.5544	5.8566	5.6362	4.6468	4.4710	3.5561	3.2353	2.5137	2.1196		1.7404	1.0962	2.4823	3.0705	2.5210	2.1564
H11	6.5544	5.8566	5.6362	4.6468	4.4710	3.5561	3.2353	2.5137	2.1196	1.7404		1.0962	2.4823	2.5210	3.0705	2.1564
C12	5.9660	5.1678	5.0035	4.1798	3.8779	2.7902	2.5371	2.2038	1.4992	1.0962	1.0962		2.1645	2.1708	2.1708	1.5244
H13	7.3901	6.1420	6.3299	6.0493	5.4831	3.6742	4.0302	4.3498	3.4812	2.4823	2.4823	2.1645		1.7644	1.7644	1.0906
H14	6.0423	4.7193	4.9809	5.0058	4.2932	2.3823	2.9186	3.8430	2.8290	3.0705	2.5210	2.1708	1.7644		1.7655	1.0912
H15	6.0423	4.7193	4.9809	5.0058	4.2932	2.3823	2.9186	3.8430	2.8290	2.5210	3.0705	2.1708	1.7644	1.7655		1.0912
C16	6.2997	5.0831	5.2408	5.0139	4.4037	2.5985	2.9520	3.5249	2.5489	2.1564	2.1564	1.5244	1.0906	1.0912	1.0912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	117.231	H1	C3	C5	121.670
H2	C3	C5	121.098	C3	C5	H4	119.434
C3	C5	C7	123.952	H4	C5	C7	116.614
C5	C7	H6	116.568	C5	C7	C9	123.243
H6	C7	C9	120.188	C7	C9	H8	117.838
C7	C9	C12	126.299	H8	C9	C12	115.862
C9	C12	H10	108.514	C9	C12	H11	108.514
C9	C12	C16	114.919	H10	C12	H11	105.091
H10	C12	C16	109.669	H11	C12	C16	109.669
C12	C16	H13	110.637	C12	C16	H14	111.106
C12	C16	H15	111.106	H13	C16	H14	107.935
H13	C16	H15	107.935	H14	C16	H15	107.989

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

using model chemistry: MP2/6-31G(2df,p)

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, (E)-)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

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