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	hartrees
Energy at 0K	-233.829080
Energy at 298.15K	-233.838865
HF Energy	-232.998832
Nuclear repulsion energy	212.784741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3337	3125	6.68
2	A	3239	3033	0.03
3	A	3224	3020	32.11
4	A	3181	2979	26.62
5	A	3105	2908	4.22
6	A	1735	1625	2.75
7	A	1533	1436	2.55
8	A	1497	1402	1.58
9	A	1405	1316	0.45
10	A	1349	1264	1.14
11	A	1274	1193	0.11
12	A	1114	1044	0.06
13	A	1077	1009	1.72
14	A	1042	976	8.54
15	A	976	914	0.27
16	A	931	872	12.32
17	A	795	745	0.35
18	A	643	602	5.27
19	A	426	399	0.02
20	A	354	332	0.06
21	A	98	91	0.01
22	A	75	70	0.01
23	B	3337	3125	25.19
24	B	3239	3033	9.17
25	B	3224	3019	10.59
26	B	3164	2963	1.46
27	B	3112	2914	41.96
28	B	1738	1628	6.14
29	B	1546	1448	4.77
30	B	1499	1404	0.16
31	B	1357	1271	0.64
32	B	1342	1257	0.11
33	B	1296	1214	3.31
34	B	1212	1135	1.46
35	B	1044	978	25.34
36	B	987	925	3.41
37	B	961	900	0.14
38	B	931	872	53.40
39	B	667	625	15.83
40	B	439	412	1.50
41	B	222	208	0.17
42	B	112	104	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.424	0.641	-0.318
C2	0.424	-0.641	-0.318
C3	0.424	1.876	-0.349
C4	-0.424	-1.876	-0.349
C5	0.464	2.790	0.627
C6	-0.464	-2.790	0.627
H7	-1.089	0.624	-1.186
H8	-1.060	0.650	0.570
H9	1.089	-0.624	-1.186
H10	1.060	-0.650	0.570
H11	1.055	2.007	-1.223
H12	-1.055	-2.007	-1.223
H13	1.104	3.659	0.566
H14	-0.149	2.692	1.514
H15	-1.104	-3.659	0.566
H16	0.149	-2.692	1.514

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5367	1.4982	2.5177	2.5098	3.5592	1.0946	1.0923	2.1552	2.1576	2.2074	2.8691	3.4957	2.7629	4.4420	3.8456
C2	1.5367		2.5177	1.4982	3.5592	2.5098	2.1552	2.1576	1.0946	1.0923	2.8691	2.2074	4.4420	3.8456	3.4957	2.7629
C3	1.4982	2.5177		3.8472	1.3380	4.8495	2.1347	2.1327	2.7200	2.7629	1.0863	4.2464	2.1159	2.1125	5.8145	4.9408
C4	2.5177	1.4982	3.8472		4.8495	1.3380	2.7200	2.7629	2.1347	2.1327	4.2464	1.0863	5.8145	4.9408	2.1159	2.1125
C5	2.5098	3.5592	1.3380	4.8495		5.6570	3.2237	2.6275	3.9166	3.4920	2.0946	5.3616	1.0806	1.0822	6.6370	5.5618
C6	3.5592	2.5098	4.8495	1.3380	5.6570		3.9166	3.4920	3.2237	2.6275	5.3616	2.0946	6.6370	5.5618	1.0806	1.0822
H7	1.0946	2.1552	2.1347	2.7200	3.2237	3.9166		1.7570	2.5113	3.0542	2.5519	2.6320	4.1337	3.5280	4.6277	4.4519
H8	1.0923	2.1576	2.1327	2.7629	2.6275	3.4920	1.7570		3.0542	2.4862	3.0871	3.2059	3.7057	2.4261	4.3091	3.6767
H9	2.1552	1.0946	2.7200	2.1347	3.9166	3.2237	2.5113	3.0542		1.7570	2.6320	2.5519	4.6277	4.4519	4.1337	3.5280
H10	2.1576	1.0923	2.7629	2.1327	3.4920	2.6275	3.0542	2.4862	1.7570		3.2059	3.0871	4.3091	3.6767	3.7057	2.4261
H11	2.2074	2.8691	1.0863	4.2464	2.0946	5.3616	2.5519	3.0871	2.6320	3.2059		4.5352	2.4353	3.0675	6.3217	5.5126
H12	2.8691	2.2074	4.2464	1.0863	5.3616	2.0946	2.6320	3.2059	2.5519	3.0871	4.5352		6.3217	5.5126	2.4353	3.0675
H13	3.4957	4.4420	2.1159	5.8145	1.0806	6.6370	4.1337	3.7057	4.6277	4.3091	2.4353	6.3217		1.8451	7.6433	6.4912
H14	2.7629	3.8456	2.1125	4.9408	1.0822	5.5618	3.5280	2.4261	4.4519	3.6767	3.0675	5.5126	1.8451		6.4912	5.3914
H15	4.4420	3.4957	5.8145	2.1159	6.6370	1.0806	4.6277	4.3091	4.1337	3.7057	6.3217	2.4353	7.6433	6.4912		1.8451
H16	3.8456	2.7629	4.9408	2.1125	5.5618	1.0822	4.4519	3.6767	3.5280	2.4261	5.5126	3.0675	6.4912	5.3914	1.8451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	112.107	C1	C2	H9	108.822
C1	C2	H10	109.141	C1	C3	C5	124.394
C1	C3	H11	116.417	C2	C1	C3	112.107
C2	C1	H7	108.822	C2	C1	H8	109.141
C2	C4	C6	124.394	C2	C4	H12	116.417
C3	C1	H7	109.864	C3	C1	H8	109.844
C3	C5	H13	121.686	C3	C5	H14	121.222
C4	C2	H9	109.864	C4	C2	H10	109.844
C4	C6	H15	121.686	C4	C6	H16	121.222
C5	C3	H11	119.175	C6	C4	H12	119.175
H7	C1	H8	106.919	H9	C2	H10	106.919
H13	C5	H14	117.091	H15	C6	H16	117.091

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

using model chemistry: MP2/6-31G**

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 (1,5-Hexadiene)

using model chemistry: MP2/6-31G**

States and conformations

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