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	hartrees
Energy at 0K	-233.431694
Energy at 298.15K	-233.440317
HF Energy	-232.882913
Nuclear repulsion energy	204.102997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3140	3004	37.09
2	A	3128	2992	18.26
3	A	3064	2931	29.28
4	A	3054	2922	26.27
5	A	3052	2921	35.01
6	A	3032	2901	24.87
7	A	2252	2155	0.03
8	A	1582	1513	5.01
9	A	1569	1501	1.03
10	A	1562	1494	5.07
11	A	1561	1493	2.14
12	A	1493	1428	1.36
13	A	1484	1420	3.13
14	A	1429	1367	1.20
15	A	1363	1304	6.52
16	A	1178	1127	5.24
17	A	1150	1100	3.27
18	A	1095	1048	1.21
19	A	1066	1020	1.06
20	A	916	877	3.22
21	A	755	723	0.32
22	A	505	483	1.72
23	A	330	315	0.04
24	A	261	249	5.52
25	A	95	91	1.79
26	A	3138	3002	65.21
27	A	3131	2996	17.86
28	A	3109	2974	10.47
29	A	3067	2934	11.25
30	A	1573	1505	6.91
31	A	1561	1494	5.81
32	A	1364	1305	0.01
33	A	1314	1258	0.17
34	A	1167	1116	0.51
35	A	1108	1060	0.88
36	A	916	876	0.47
37	A	769	735	2.49
38	A	238	228	0.21
39	A	217	207	5.07
40	A	148	141	3.06
41	A	74	71	0.16
42	A	27	26	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	1.393	-2.774	0.000
C2	-1.949	2.753	0.000
C3	0.994	-0.234	0.000
C4	0.000	0.867	0.000
C5	0.339	-1.644	0.000
C6	-0.944	1.665	0.000
H7	0.910	-3.761	0.000
H8	-2.971	2.348	0.000
H9	2.036	-2.709	0.890
H10	2.036	-2.709	-0.890
H11	-0.311	-1.733	-0.884
H12	-0.311	-1.733	0.884
H13	1.650	-0.147	-0.883
H14	1.650	-0.147	0.883
H15	-1.842	3.392	0.888
H16	-1.842	3.392	-0.888

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		6.4586	2.5712	3.8977	1.5447	5.0164	1.0989	6.7278	1.1000	1.1000	2.1831	2.1831	2.7829	2.7829	7.0190	7.0190
C2	6.4586		4.1931	2.7124	4.9569	1.4811	7.1145	1.0995	6.8193	6.8193	4.8571	4.8571	4.7057	4.7057	1.0993	1.0993
C3	2.5712	4.1931		1.4828	1.5551	2.7132	3.5286	4.7308	2.8291	2.8291	2.1754	2.1754	1.1035	1.1035	4.6878	4.6878
C4	3.8977	2.7124	1.4828		2.5336	1.2364	4.7167	3.3192	4.2096	4.2096	2.7635	2.7635	2.1284	2.1284	3.2493	3.2493
C5	1.5447	4.9569	1.5551	2.5336		3.5493	2.1930	5.1852	2.1919	2.1919	1.1008	1.1008	2.1768	2.1768	5.5594	5.5594
C6	5.0164	1.4811	2.7132	1.2364	3.5493		5.7346	2.1384	5.3668	5.3668	3.5680	3.5680	3.2853	3.2853	2.1393	2.1393
H7	1.0989	7.1145	3.5286	4.7167	2.1930	5.7346		7.2374	1.7793	1.7793	2.5272	2.5272	3.7931	3.7931	7.7158	7.7158
H8	6.7278	1.0995	4.7308	3.3192	5.1852	2.1384	7.2374		7.1708	7.1708	4.9503	4.9503	5.3247	5.3247	1.7761	1.7761
H9	1.1000	6.8193	2.8291	4.2096	2.1919	5.3668	1.7793	7.1708		1.7804	3.0993	2.5413	3.1393	2.5904	7.2287	7.4442
H10	1.1000	6.8193	2.8291	4.2096	2.1919	5.3668	1.7793	7.1708	1.7804		2.5413	3.0993	2.5904	3.1393	7.4442	7.2287
H11	2.1831	4.8571	2.1754	2.7635	1.1008	3.5680	2.5272	4.9503	3.0993	2.5413		1.7679	2.5217	3.0792	5.6347	5.3487
H12	2.1831	4.8571	2.1754	2.7635	1.1008	3.5680	2.5272	4.9503	2.5413	3.0993	1.7679		3.0792	2.5217	5.3487	5.6347
H13	2.7829	4.7057	1.1035	2.1284	2.1768	3.2853	3.7931	5.3247	3.1393	2.5904	2.5217	3.0792		1.7665	5.2779	4.9717
H14	2.7829	4.7057	1.1035	2.1284	2.1768	3.2853	3.7931	5.3247	2.5904	3.1393	3.0792	2.5217	1.7665		4.9717	5.2779
H15	7.0190	1.0993	4.6878	3.2493	5.5594	2.1393	7.7158	1.7761	7.2287	7.4442	5.6347	5.3487	5.2779	4.9717		1.7768
H16	7.0190	1.0993	4.6878	3.2493	5.5594	2.1393	7.7158	1.7761	7.4442	7.2287	5.3487	5.6347	4.9717	5.2779	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	C3	112.090	C1	C5	H11	110.095
C1	C5	H12	110.095	C2	C6	C4	172.946
C3	C4	C6	172.314	C3	C5	H11	108.782
C3	C5	H12	108.782	C4	C3	C5	113.002
C4	C3	H13	109.898	C4	C3	H14	109.898
C5	C1	H7	110.980	C5	C1	H9	110.826
C5	C1	H10	110.826	C5	C3	H13	108.737
C5	C3	H14	108.737	C6	C2	H8	111.057
C6	C2	H15	111.144	C6	C2	H16	111.144
H7	C1	H9	108.024	H7	C1	H10	108.024
H8	C2	H15	107.755	H8	C2	H16	107.755
H9	C1	H10	108.041	H11	C5	H12	106.842
H13	C3	H14	106.340	H15	C2	H16	107.827

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

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 (2-Hexyne)

using model chemistry: MP2/6-31G

States and conformations

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