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	hartrees
Energy at 0K	-152.115282
Energy at 298.15K	-152.115921
HF Energy	-151.668514
Nuclear repulsion energy	57.811732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3907	3663	90.69
2	A'	3559	3337	72.22
3	A'	2323	2178	84.34
4	A'	1297	1216	107.35
5	A'	1085	1017	75.96
6	A'	613	575	43.44
7	A'	354	332	10.08
8	A"	538	504	37.24
9	A"	365	343	19.56

Atom	x (Å)	y (Å)
C1	0.000	0.127
C2	0.192	1.319
O3	-0.261	-1.173
H4	0.363	2.366
H5	0.573	-1.655

	C1	C2	O3	H4	H5
C1		1.2068	1.3266	2.2676	1.8727
C2	1.2068		2.5329	1.0608	2.9985
O3	1.3266	2.5329		3.5936	0.9635
H4	2.2676	1.0608	3.5936		4.0266
H5	1.8727	2.9985	0.9635	4.0266

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.883		C1	O3	H5	108.674
C2	C1	O3	177.806

All results from a given calculation for HCCOH (ethynol)

using model chemistry: CCD/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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