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	hartrees
Energy at 0K	-233.945093
Energy at 298.15K	-233.953756
HF Energy	-233.019689
Nuclear repulsion energy	206.299152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3168	3000	29.53
2	A	3165	2997	9.80
3	A	3095	2931	27.92
4	A	3082	2919	26.56
5	A	3076	2913	29.81
6	A	3068	2905	15.53
7	A	2285	2164	0.10
8	A	1546	1464	9.61
9	A	1532	1451	1.01
10	A	1522	1442	8.80
11	A	1519	1439	1.27
12	A	1451	1374	1.19
13	A	1448	1372	4.89
14	A	1411	1337	2.80
15	A	1323	1253	5.62
16	A	1194	1131	0.46
17	A	1137	1077	3.67
18	A	1083	1025	0.76
19	A	1055	999	0.64
20	A	919	870	3.91
21	A	770	729	0.27
22	A	450	426	2.78
23	A	324	307	0.59
24	A	230	217	5.43
25	A	94	89	1.48
26	A	3167	2999	55.27
27	A	3166	2998	8.55
28	A	3143	2977	3.57
29	A	3111	2946	5.80
30	A	1540	1459	10.54
31	A	1523	1442	8.22
32	A	1355	1283	0.00
33	A	1287	1219	0.22
34	A	1137	1077	0.42
35	A	1055	1000	0.79
36	A	884	837	0.50
37	A	745	706	2.87
38	A	268	254	0.03
39	A	236	224	0.18
40	A	210	199	9.33
41	A	82	77	0.33
42	A	21	20	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.274	-2.797	0.000
C2	-1.806	2.811	0.000
C3	0.955	-0.280	0.000
C4	0.000	0.829	0.000
C5	0.267	-1.651	0.000
C6	-0.832	1.721	0.000
H7	0.771	-3.767	0.000
H8	-2.827	2.422	0.000
H9	1.917	-2.754	0.884
H10	1.917	-2.754	-0.884
H11	-0.383	-1.717	-0.878
H12	-0.383	-1.717	0.878
H13	1.607	-0.200	-0.878
H14	1.607	-0.200	0.878
H15	-1.685	3.442	0.884
H16	-1.685	3.442	-0.884

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		6.3980	2.5372	3.8429	1.5254	4.9842	1.0925	6.6366	1.0935	1.0935	2.1633	2.1633	2.7615	2.7615	6.9610	6.9610
C2	6.3980		4.1442	2.6816	4.9200	1.4621	7.0647	1.0926	6.7538	6.7538	4.8273	4.8273	4.6352	4.6352	1.0924	1.0924
C3	2.5372	4.1442		1.4629	1.5338	2.6821	3.4919	4.6470	2.7983	2.7983	2.1508	2.1508	1.0966	1.0966	4.6475	4.6475
C4	3.8429	2.6816	1.4629		2.4939	1.2197	4.6598	3.2445	4.1586	4.1586	2.7203	2.7203	2.1003	2.1003	3.2324	3.2324
C5	1.5254	4.9200	1.5338	2.4939		3.5461	2.1753	5.1142	2.1725	2.1725	1.0942	1.0942	2.1613	2.1613	5.5249	5.5249
C6	4.9842	1.4621	2.6821	1.2197	3.5461		5.7169	2.1142	5.3257	5.3257	3.5767	3.5767	3.2261	3.2261	2.1145	2.1145
H7	1.0925	7.0647	3.4919	4.6598	2.1753	5.7169		7.1581	1.7658	1.7658	2.5104	2.5104	3.7673	3.7673	7.6665	7.6665
H8	6.6366	1.0926	4.6470	3.2445	5.1142	2.1142	7.1581		7.0760	7.0760	4.8860	4.8860	5.2249	5.2249	1.7676	1.7676
H9	1.0935	6.7538	2.7983	4.1586	2.1725	5.3257	1.7658	7.0760		1.7672	3.0766	2.5225	3.1185	2.5734	7.1669	7.3817
H10	1.0935	6.7538	2.7983	4.1586	2.1725	5.3257	1.7658	7.0760	1.7672		2.5225	3.0766	2.5734	3.1185	7.3817	7.1669
H11	2.1633	4.8273	2.1508	2.7203	1.0942	3.5767	2.5104	4.8860	3.0766	2.5225		1.7556	2.5025	3.0569	5.6049	5.3208
H12	2.1633	4.8273	2.1508	2.7203	1.0942	3.5767	2.5104	4.8860	2.5225	3.0766	1.7556		3.0569	2.5025	5.3208	5.6049
H13	2.7615	4.6352	1.0966	2.1003	2.1613	3.2261	3.7673	5.2249	3.1185	2.5734	2.5025	3.0569		1.7558	5.2157	4.9091
H14	2.7615	4.6352	1.0966	2.1003	2.1613	3.2261	3.7673	5.2249	2.5734	3.1185	3.0569	2.5025	1.7558		4.9091	5.2157
H15	6.9610	1.0924	4.6475	3.2324	5.5249	2.1145	7.6665	1.7676	7.1669	7.3817	5.6049	5.3208	5.2157	4.9091		1.7681
H16	6.9610	1.0924	4.6475	3.2324	5.5249	2.1145	7.6665	1.7676	7.3817	7.1669	5.3208	5.6049	4.9091	5.2157	1.7681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	C3	112.072	C1	C5	H11	110.257
C1	C5	H12	110.257	C2	C6	C4	178.758
C3	C4	C6	177.725	C3	C5	H11	108.704
C3	C5	H12	108.704	C4	C3	C5	112.632
C4	C3	H13	109.450	C4	C3	H14	109.450
C5	C1	H7	111.308	C5	C1	H9	111.030
C5	C1	H10	111.030	C5	C3	H13	109.377
C5	C3	H14	109.377	C6	C2	H8	110.875
C6	C2	H15	110.910	C6	C2	H16	110.910
H7	C1	H9	107.750	H7	C1	H10	107.750
H8	C2	H15	107.987	H8	C2	H16	107.987
H9	C1	H10	107.811	H11	C5	H12	106.679
H13	C3	H14	106.359	H15	C2	H16	108.048

All results from a given calculation for C₆H₁₀ (2-Hexyne)

using model chemistry: MP2=FULL/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 (2-Hexyne)

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

States and conformations

All results from a given calculation for C₆H₁₀ (2-Hexyne)