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	hartrees
Energy at 0K	-152.208008
Energy at 298.15K	-152.208655
HF Energy	-151.696930
Nuclear repulsion energy	57.977660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3822	3619	104.01
2	A'	3517	3331	81.99
3	A'	2239	2121	113.58
4	A'	1283	1215	126.23
5	A'	1083	1026	76.82
6	A'	579	548	54.05
7	A'	374	354	11.77
8	A"	520	493	38.71
9	A"	383	362	26.22

Atom	x (Å)	y (Å)
C1	0.000	0.120
C2	0.123	1.326
O3	-0.202	-1.177
H4	0.239	2.382
H5	0.643	-1.638

	C1	C2	O3	H4	H5
C1		1.2124	1.3122	2.2749	1.8716
C2	1.2124		2.5237	1.0625	3.0092
O3	1.3122	2.5237		3.5861	0.9630
H4	2.2749	1.0625	3.5861		4.0402
H5	1.8716	3.0092	0.9630	4.0402

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.532		C1	O3	H5	109.742
C2	C1	O3	176.942

All results from a given calculation for HCCOH (ethynol)

using model chemistry: MP2=FULL/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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