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	hartrees
Energy at 0K	-152.188399
Energy at 298.15K	-152.189174
HF Energy	-151.708309
Nuclear repulsion energy	58.000250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3884	3706	105.46
2	A'	3512	3350	79.56
3	A'	2275	2171	107.48
4	A'	1309	1249	95.51
5	A'	1079	1029	75.06
6	A'	651	621	44.44
7	A'	392	374	10.75
8	A"	557	531	47.63
9	A"	418	399	13.30

Atom	x (Å)	y (Å)
C1	0.000	0.124
C2	0.239	1.306
O3	-0.300	-1.160
H4	0.439	2.351
H5	0.526	-1.652

	C1	C2	O3	H4	H5
C1		1.2066	1.3183	2.2701	1.8517
C2	1.2066		2.5247	1.0635	2.9720
O3	1.3183	2.5247		3.5880	0.9610
H4	2.2701	1.0635	3.5880		4.0037
H5	1.8517	2.9720	0.9610	4.0037

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.403		C1	O3	H5	107.624
C2	C1	O3	178.278

All results from a given calculation for HCCOH (ethynol)

using model chemistry: QCISD/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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