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	hartrees
Energy at 0K	-154.300590
Energy at 298.15K
HF Energy	-153.758534
Nuclear repulsion energy	89.998867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3513	3330	60.56
2	A'	3308	3135	5.89
3	A'	3215	3047	5.92
4	A'	3203	3036	1.75
5	A'	2142	2030	1.03
6	A'	1668	1581	11.40
7	A'	1467	1391	1.61
8	A'	1338	1269	0.64
9	A'	1123	1064	3.50
10	A'	897	850	2.08
11	A'	631	598	49.96
12	A'	540	512	0.97
13	A'	208	197	2.43
14	A"	994	942	31.04
15	A"	860	815	33.72
16	A"	640	607	1.47
17	A"	435	412	54.04
18	A"	274i	260i	2.99

Atom	x (Å)	y (Å)
C1	0.583	-0.562
C2	0.000	0.738
C3	-0.130	-1.696
C4	-0.450	1.869
H5	1.667	-0.609
H6	0.363	-2.658
H7	-1.211	-1.683
H8	-0.844	2.854

	C1	C2	C3	C4	H5	H6	H7	H8
C1		1.4253	1.3391	2.6413	1.0849	2.1070	2.1159	3.7026
C2	1.4253		2.4373	1.2166	2.1434	3.4152	2.7074	2.2781
C3	1.3391	2.4373		3.5787	2.1001	1.0808	1.0817	4.6057
C4	2.6413	1.2166	3.5787		3.2587	4.5987	3.6325	1.0615
H5	1.0849	2.1434	2.1001	3.2587		2.4289	3.0725	4.2776
H6	2.1070	3.4152	1.0808	4.5987	2.4289		1.8515	5.6426
H7	2.1159	2.7074	1.0817	3.6325	3.0725	1.8515		4.5523
H8	3.7026	2.2781	4.6057	1.0615	4.2776	5.6426	4.5523

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	177.533	C1	C3	H6	120.710
C1	C3	H7	121.507	C2	C1	C3	123.665
C2	C1	H5	116.618	C2	C4	H8	179.915
C3	C1	H5	119.717	H6	C3	H7	117.783

All results from a given calculation for C₂H₃CCH (1-Buten-3-yne)

using model chemistry: MP2/TZVP

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 C2H3CCH (1-Buten-3-yne)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₂H₃CCH (1-Buten-3-yne)