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	hartrees
Energy at 0K	-152.174395
Energy at 298.15K	-152.175124
HF Energy	-151.707529
Nuclear repulsion energy	57.937874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3866	3674	126.58
2	A'	3532	3357	87.05
3	A'	2235	2123	115.51
4	A'	1281	1217	93.24
5	A'	1079	1025	78.17
6	A'	624	593	47.89
7	A'	388	369	10.71
8	A"	547	520	46.02
9	A"	398	378	14.00

Atom	x (Å)	y (Å)
C1	0.000	0.120
C2	0.211	1.315
O3	-0.276	-1.166
H4	0.386	2.362
H5	0.561	-1.642

	C1	C2	O3	H4	H5
C1		1.2128	1.3156	2.2747	1.8493
C2	1.2128		2.5280	1.0619	2.9773
O3	1.3156	2.5280		3.5896	0.9631
H4	2.2747	1.0619	3.5896		4.0077
H5	1.8493	2.9773	0.9631	4.0077

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.501		C1	O3	H5	107.489
C2	C1	O3	177.875

All results from a given calculation for HCCOH (ethynol)

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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