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	hartrees
Energy at 0K	-152.197270
Energy at 298.15K	-152.197935
HF Energy	-151.683234
Nuclear repulsion energy	58.065186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3847	3633	126.90
2	A'	3562	3364	96.01
3	A'	2267	2141	96.37
4	A'	1270	1200	92.68
5	A'	1085	1025	76.16
6	A'	596	563	47.19
7	A'	378	357	8.82
8	A"	529	500	39.32
9	A"	379	358	17.42

Atom	x (Å)	y (Å)
C1	0.000	0.120
C2	0.105	1.325
O3	-0.188	-1.179
H4	0.205	2.379
H5	0.672	-1.614

	C1	C2	O3	H4	H5
C1		1.2093	1.3122	2.2681	1.8589
C2	1.2093		2.5204	1.0589	2.9923
O3	1.3122	2.5204		3.5791	0.9634
H4	2.2681	1.0589	3.5791		4.0193
H5	1.8589	2.9923	0.9634	4.0193

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.523		C1	O3	H5	108.581
C2	C1	O3	176.724

All results from a given calculation for HCCOH (ethynol)

using model chemistry: MP2/6-31G(2df,p)

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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