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	hartrees
Energy at 0K	-233.723831
Energy at 298.15K	-233.733804
HF Energy	-233.026542
Nuclear repulsion energy	213.157311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3336	3099	9.86
2	A	3254	3023	1.07
3	A	3240	3011	43.96
4	A	3200	2973	27.06
5	A	3132	2910	8.48
6	A	1806	1678	5.83
7	A	1569	1458	3.80
8	A	1529	1421	4.10
9	A	1454	1351	0.21
10	A	1388	1289	0.84
11	A	1313	1220	0.12
12	A	1148	1067	0.32
13	A	1099	1021	2.40
14	A	1077	1001	9.07
15	A	1002	931	2.93
16	A	991	921	19.07
17	A	817	759	0.30
18	A	662	616	7.98
19	A	438	407	0.00
20	A	367	341	0.10
21	A	100	93	0.01
22	A	80	74	0.02
23	B	3336	3099	32.34
24	B	3253	3022	11.21
25	B	3240	3010	10.94
26	B	3180	2955	5.34
27	B	3135	2913	46.91
28	B	1809	1680	13.62
29	B	1582	1469	10.72
30	B	1528	1420	0.67
31	B	1399	1300	0.33
32	B	1380	1282	0.07
33	B	1340	1245	2.00
34	B	1242	1154	1.96
35	B	1081	1005	29.39
36	B	1013	941	2.57
37	B	993	922	80.65
38	B	980	910	0.18
39	B	695	646	22.65
40	B	456	424	1.52
41	B	229	212	0.26
42	B	116	107	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	0.640	-0.304
C2	0.423	-0.640	-0.304
C3	0.423	1.878	-0.338
C4	-0.423	-1.878	-0.338
C5	0.449	2.807	0.606
C6	-0.449	-2.807	0.606
H7	-1.084	0.629	-1.172
H8	-1.062	0.651	0.578
H9	1.084	-0.629	-1.172
H10	1.062	-0.651	0.578
H11	1.061	1.995	-1.207
H12	-1.061	-1.995	-1.207
H13	1.085	3.675	0.529
H14	-0.169	2.734	1.490
H15	-1.085	-3.675	0.529
H16	0.169	-2.734	1.490

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5336	1.4999	2.5184	2.5063	3.5645	1.0919	1.0888	2.1533	2.1555	2.2033	2.8576	3.4896	2.7690	4.4438	3.8665
C2	1.5336		2.5184	1.4999	3.5645	2.5063	2.1533	2.1555	1.0919	1.0888	2.8576	2.2033	4.4438	3.8665	3.4896	2.7690
C3	1.4999	2.5184		3.8506	1.3243	4.8580	2.1274	2.1330	2.7244	2.7649	1.0844	4.2379	2.1019	2.1034	5.8192	4.9681
C4	2.5184	1.4999	3.8506		4.8580	1.3243	2.7244	2.7649	2.1274	2.1330	4.2379	1.0844	5.8192	4.9681	2.1019	2.1034
C5	2.5063	3.5645	1.3243	4.8580		5.6846	3.2017	2.6326	3.9206	3.5116	2.0784	5.3499	1.0791	1.0807	6.6609	5.6180
C6	3.5645	2.5063	4.8580	1.3243	5.6846		3.9206	3.5116	3.2017	2.6326	5.3499	2.0784	6.6609	5.6180	1.0791	1.0807
H7	1.0919	2.1533	2.1274	2.7244	3.2017	3.9206		1.7499	2.5079	3.0509	2.5437	2.6248	4.1077	3.5147	4.6281	4.4688
H8	1.0888	2.1555	2.1330	2.7649	2.6326	3.5116	1.7499		3.0509	2.4911	3.0822	3.1915	3.7089	2.4434	4.3260	3.7156
H9	2.1533	1.0919	2.7244	2.1274	3.9206	3.2017	2.5079	3.0509		1.7499	2.6248	2.5437	4.6281	4.4688	4.1077	3.5147
H10	2.1555	1.0888	2.7649	2.1330	3.5116	2.6326	3.0509	2.4911	1.7499		3.1915	3.0822	4.3260	3.7156	3.7089	2.4434
H11	2.2033	2.8576	1.0844	4.2379	2.0784	5.3499	2.5437	3.0822	2.6248	3.1915		4.5195	2.4156	3.0548	6.3061	5.5167
H12	2.8576	2.2033	4.2379	1.0844	5.3499	2.0784	2.6248	3.1915	2.5437	3.0822	4.5195		6.3061	5.5167	2.4156	3.0548
H13	3.4896	4.4438	2.1019	5.8192	1.0791	6.6609	4.1077	3.7089	4.6281	4.3260	2.4156	6.3061		1.8385	7.6633	6.5451
H14	2.7690	3.8665	2.1034	4.9681	1.0807	5.6180	3.5147	2.4434	4.4688	3.7156	3.0548	5.5167	1.8385		6.5451	5.4789
H15	4.4438	3.4896	5.8192	2.1019	6.6609	1.0791	4.6281	4.3260	4.1077	3.7089	6.3061	2.4156	7.6633	6.5451		1.8385
H16	3.8665	2.7690	4.9681	2.1034	5.6180	1.0807	4.4688	3.7156	3.5147	2.4434	5.5167	3.0548	6.5451	5.4789	1.8385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	112.233	C1	C2	H9	109.040
C1	C2	H10	109.399	C1	C3	C5	124.987
C1	C3	H11	116.060	C2	C1	C3	112.233
C2	C1	H7	109.040	C2	C1	H8	109.399
C2	C4	C6	124.987	C2	C4	H12	116.060
C3	C1	H7	109.326	C3	C1	H8	109.956
C3	C5	H13	121.648	C3	C5	H14	121.663
C4	C2	H9	109.326	C4	C2	H10	109.956
C4	C6	H15	121.648	C4	C6	H16	121.663
C5	C3	H11	118.949	C6	C4	H12	118.949
H7	C1	H8	106.731	H9	C2	H10	106.731
H13	C5	H14	116.689	H15	C6	H16	116.689

All results from a given calculation for C₆H₁₀ (1,5-Hexadiene)

using model chemistry: CID/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 (1,5-Hexadiene)

using model chemistry: CID/6-311G*

States and conformations

All results from a given calculation for C₆H₁₀ (1,5-Hexadiene)