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	hartrees
Energy at 0K	-152.125276
Energy at 298.15K	-152.125960
HF Energy	-151.677127
Nuclear repulsion energy	57.491886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3819	3629	128.65
2	A'	3531	3356	89.50
3	A'	2229	2118	107.24
4	A'	1281	1217	89.83
5	A'	1076	1022	75.85
6	A'	608	578	42.54
7	A'	374	356	9.93
8	A"	537	510	41.76
9	A"	384	365	12.69

Atom	x (Å)	y (Å)
C1	0.000	0.118
C2	0.219	1.325
O3	-0.285	-1.173
H4	0.404	2.380
H5	0.561	-1.649

	C1	C2	O3	H4	H5
C1		1.2263	1.3225	2.2982	1.8534
C2	1.2263		2.5484	1.0719	2.9927
O3	1.3225	2.5484		3.6200	0.9698
H4	2.2982	1.0719	3.6200		4.0321
H5	1.8534	2.9927	0.9698	4.0321

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.626		C1	O3	H5	106.896
C2	C1	O3	177.853

All results from a given calculation for HCCOH (ethynol)

using model chemistry: MP2=FULL/cc-pVDZ

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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