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	hartrees
Energy at 0K	-233.906356
Energy at 298.15K	-233.915403
HF Energy	-233.033456
Nuclear repulsion energy	206.933597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3021	0.00
2	A	3171	3013	7.01
3	A	3121	2965	0.00
4	A	3080	2926	29.11
5	A	3077	2924	23.55
6	A	2270	2157	0.10
7	A	1525	1449	1.17
8	A	1517	1441	0.00
9	A	1504	1429	3.63
10	A	1426	1355	4.42
11	A	1367	1299	0.05
12	A	1305	1240	0.00
13	A	1112	1057	0.00
14	A	1110	1055	1.08
15	A	1015	964	0.05
16	A	794	755	0.00
17	A	700	665	0.19
18	A	428	407	7.03
19	A	354	336	0.00
20	A	223	212	0.00
21	A	87	83	1.58
22	A	6	6	0.00
23	B	3179	3021	50.05
24	B	3171	3013	54.45
25	B	3120	2965	15.60
26	B	3079	2926	13.07
27	B	3078	2924	40.07
28	B	1525	1449	2.90
29	B	1518	1442	13.54
30	B	1502	1428	1.11
31	B	1425	1354	0.52
32	B	1373	1305	35.37
33	B	1308	1243	0.02
34	B	1186	1127	0.02
35	B	1131	1075	0.73
36	B	1098	1043	3.91
37	B	948	901	0.27
38	B	800	760	2.25
39	B	525	499	0.37
40	B	300	285	3.18
41	B	191	182	0.10
42	B	155	148	4.77

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.611	-0.585
C2	0.000	-0.611	-0.585
C3	0.000	2.076	-0.552
C4	-0.000	-2.076	-0.552
C5	0.001	2.626	0.881
C6	-0.001	-2.626	0.881
H7	0.879	2.449	-1.091
H8	-0.880	2.449	-1.089
H9	-0.879	-2.449	-1.091
H10	0.880	-2.449	-1.089
H11	0.001	3.720	0.875
H12	-0.883	2.279	1.422
H13	0.887	2.279	1.420
H14	-0.001	-3.720	0.875
H15	0.883	-2.279	1.422
H16	-0.887	-2.279	1.420

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.2217	1.4658	2.6874	2.4920	3.5533	2.0993	2.0992	3.2235	3.2234	3.4348	2.7550	2.7551	4.5702	3.6275	3.6276
C2	1.2217		2.6874	1.4658	3.5533	2.4920	3.2235	3.2234	2.0993	2.0992	4.5702	3.6275	3.6276	3.4348	2.7550	2.7551
C3	1.4658	2.6874		4.1526	1.5354	4.9157	1.0961	1.0961	4.6411	4.6411	2.1771	2.1721	2.1721	5.9693	4.8627	4.8629
C4	2.6874	1.4658	4.1526		4.9157	1.5354	4.6411	4.6411	1.0961	1.0961	5.9693	4.8627	4.8629	2.1771	2.1721	2.1721
C5	2.4920	3.5533	1.5354	4.9157		5.2514	2.1661	2.1661	5.5152	5.5143	1.0940	1.0928	1.0928	6.3454	5.0126	5.0137
C6	3.5533	2.4920	4.9157	1.5354	5.2514		5.5152	5.5143	2.1661	2.1661	6.3454	5.0126	5.0137	1.0940	1.0928	1.0928
H7	2.0993	3.2235	1.0961	4.6411	2.1661	5.5152		1.7587	5.2037	4.8978	2.5005	3.0737	2.5169	6.5341	5.3543	5.6373
H8	2.0992	3.2234	1.0961	4.6411	2.1661	5.5143	1.7587		4.8978	5.2043	2.5005	2.5170	3.0737	6.5333	5.6362	5.3528
H9	3.2235	2.0993	4.6411	1.0961	5.5152	2.1661	5.2037	4.8978		1.7587	6.5341	5.3543	5.6373	2.5005	3.0737	2.5169
H10	3.2234	2.0992	4.6411	1.0961	5.5143	2.1661	4.8978	5.2043	1.7587		6.5333	5.6362	5.3528	2.5005	2.5170	3.0737
H11	3.4348	4.5702	2.1771	5.9693	1.0940	6.3454	2.5005	2.5005	6.5341	6.5333		1.7764	1.7764	7.4394	6.0878	6.0887
H12	2.7550	3.6275	2.1721	4.8627	1.0928	5.0126	3.0737	2.5170	5.3543	5.6362	1.7764		1.7698	6.0878	4.8883	4.5583
H13	2.7551	3.6276	2.1721	4.8629	1.0928	5.0137	2.5169	3.0737	5.6373	5.3528	1.7764	1.7698		6.0887	4.5583	4.8914
H14	4.5702	3.4348	5.9693	2.1771	6.3454	1.0940	6.5341	6.5333	2.5005	2.5005	7.4394	6.0878	6.0887		1.7764	1.7764
H15	3.6275	2.7550	4.8627	2.1721	5.0126	1.0928	5.3543	5.6362	3.0737	2.5170	6.0878	4.8883	4.5583	1.7764		1.7698
H16	3.6276	2.7551	4.8629	2.1721	5.0137	1.0928	5.6373	5.3528	2.5169	3.0737	6.0887	4.5583	4.8914	1.7764	1.7698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	178.722	C1	C3	C5	112.244
C1	C3	H7	109.203	C1	C3	H8	109.201
C2	C1	C3	178.722	C2	C4	C6	112.244
C2	C4	H9	109.203	C2	C4	H10	109.201
C3	C5	H11	110.658	C3	C5	H12	110.336
C3	C5	H13	110.336	C4	C6	H14	110.658
C4	C6	H15	110.336	C4	C6	H16	110.336
C5	C3	H7	109.672	C5	C3	H8	109.673
C6	C4	H9	109.672	C6	C4	H10	109.673
H7	C3	H8	106.689	H9	C4	H10	106.689
H11	C5	H12	108.648	H11	C5	H13	108.648
H12	C5	H13	108.147	H14	C6	H15	108.648
H14	C6	H16	108.648	H15	C6	H15	0.000

All results from a given calculation for C₆H₁₀ (3-Hexyne)

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 (3-Hexyne)

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

States and conformations

All results from a given calculation for C₆H₁₀ (3-Hexyne)