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	hartrees
Energy at 0K	-233.916998
Energy at 298.15K	-233.926737
HF Energy	-233.048964
Nuclear repulsion energy	212.801152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3117	12.25
2	A'	3193	3034	14.88
3	A'	3184	3025	3.00
4	A'	3174	3016	10.27
5	A'	3168	3010	30.37
6	A'	3160	3003	17.94
7	A'	3077	2924	18.40
8	A'	3057	2904	28.46
9	A'	1717	1631	9.90
10	A'	1655	1573	2.63
11	A'	1530	1453	4.52
12	A'	1495	1421	4.46
13	A'	1460	1388	2.20
14	A'	1430	1359	6.47
15	A'	1389	1320	10.28
16	A'	1335	1268	4.46
17	A'	1317	1251	0.77
18	A'	1291	1227	0.17
19	A'	1208	1148	3.14
20	A'	1120	1065	2.52
21	A'	1047	995	2.28
22	A'	959	911	1.29
23	A'	910	864	1.73
24	A'	568	540	2.16
25	A'	469	446	0.30
26	A'	312	297	0.49
27	A'	151	143	0.53
28	A"	3166	3008	27.63
29	A"	3093	2939	14.53
30	A"	1519	1444	7.14
31	A"	1303	1238	0.21
32	A"	1113	1057	1.02
33	A"	1033	981	51.37
34	A"	970	921	3.67
35	A"	878	834	37.85
36	A"	845	803	0.18
37	A"	761	723	4.58
38	A"	620	589	1.61
39	A"	310	294	1.34
40	A"	226	214	1.23
41	A"	144	136	0.82
42	A"	100	95	0.20

Atom	x (Å)	y (Å)	z (Å)
H1	-0.057	3.966	0.000
H2	1.419	2.840	0.000
C3	0.338	2.956	0.000
H4	-1.555	2.030	0.000
C5	-0.475	1.883	0.000
H6	1.079	0.358	0.000
C7	0.000	0.504	0.000
H8	-1.901	-0.373	0.000
C9	-0.826	-0.562	0.000
H10	-0.864	-2.496	0.874
H11	-0.864	-2.496	-0.874
C12	-0.413	-2.007	0.000
H13	1.307	-3.325	0.000
H14	1.563	-1.814	-0.886
H15	1.563	-1.814	0.886
C16	1.094	-2.253	0.000

	H1	H2	C3	H4	C5	H6	C7	H8	C9	H10	H11	C12	H13	H14	H15	C16
H1		1.8563	1.0845	2.4475	2.1241	3.7820	3.4623	4.7144	4.5921	6.5701	6.5701	5.9836	7.4175	6.0674	6.0674	6.3243
H2	1.8563		1.0866	3.0816	2.1213	2.5044	2.7329	4.6200	4.0753	5.8688	5.8688	5.1816	6.1661	4.7395	4.7395	5.1030
C3	1.0845	1.0866		2.1073	1.3461	2.7010	2.4752	4.0122	3.7052	5.6507	5.6507	5.0198	6.3554	5.0035	5.0035	5.2633
H4	2.4475	3.0816	2.1073		1.0899	3.1191	2.1782	2.4276	2.6916	4.6605	4.6605	4.1952	6.0714	5.0274	5.0274	5.0354
C5	2.1241	2.1213	1.3461	1.0899		2.1767	1.4585	2.6693	2.4697	4.4822	4.4822	3.8908	5.5045	4.3131	4.3131	4.4234
H6	3.7820	2.5044	2.7010	3.1191	2.1767		1.0888	3.0689	2.1158	3.5619	3.5619	2.7970	3.6908	2.3954	2.3954	2.6114
C7	3.4623	2.7329	2.4752	2.1782	1.4585	1.0888		2.0938	1.3483	3.2418	3.2418	2.5450	4.0461	2.9324	2.9324	2.9660
H8	4.7144	4.6200	4.0122	2.4276	2.6693	3.0689	2.0938		1.0916	2.5192	2.5192	2.2104	4.3597	3.8548	3.8548	3.5364
C9	4.5921	4.0753	3.7052	2.6916	2.4697	2.1158	1.3483	1.0916		2.1230	2.1230	1.5036	3.4910	2.8388	2.8388	2.5589
H10	6.5701	5.8688	5.6507	4.6605	4.4822	3.5619	3.2418	2.5192	2.1230		1.7488	1.0984	2.4829	3.0743	2.5206	2.1582
H11	6.5701	5.8688	5.6507	4.6605	4.4822	3.5619	3.2418	2.5192	2.1230	1.7488		1.0984	2.4829	2.5206	3.0743	2.1582
C12	5.9836	5.1816	5.0198	4.1952	3.8908	2.7970	2.5450	2.2104	1.5036	1.0984	1.0984		2.1667	2.1737	2.1737	1.5270
H13	7.4175	6.1661	6.3554	6.0714	5.5045	3.6908	4.0461	4.3597	3.4910	2.4829	2.4829	2.1667		1.7703	1.7703	1.0933
H14	6.0674	4.7395	5.0035	5.0274	4.3131	2.3954	2.9324	3.8548	2.8388	3.0743	2.5206	2.1737	1.7703		1.7713	1.0938
H15	6.0674	4.7395	5.0035	5.0274	4.3131	2.3954	2.9324	3.8548	2.8388	2.5206	3.0743	2.1737	1.7703	1.7713		1.0938
C16	6.3243	5.1030	5.2633	5.0354	4.4234	2.6114	2.9660	3.5364	2.5589	2.1582	2.1582	1.5270	1.0933	1.0938	1.0938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	117.523	H1	C3	C5	121.462
H2	C3	C5	121.015	C3	C5	H4	119.419
C3	C5	C7	123.858	H4	C5	C7	116.723
C5	C7	H6	116.669	C5	C7	C9	123.219
H6	C7	C9	120.112	C7	C9	H8	117.844
C7	C9	C12	126.263	H8	C9	C12	115.893
C9	C12	H10	108.343	C9	C12	H11	108.343
C9	C12	C16	115.200	H10	C12	H11	105.509
H10	C12	C16	109.498	H11	C12	C16	109.498
C12	C16	H13	110.465	C12	C16	H14	110.991
C12	C16	H15	110.991	H13	C16	H14	108.076
H13	C16	H15	108.076	H14	C16	H15	108.130

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

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 (1,3-Hexadiene, (E)-)

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

States and conformations

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