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	hartrees
Energy at 0K	-152.186293
Energy at 298.15K	-152.186628
HF Energy	-151.721638
Nuclear repulsion energy	57.980148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3834	3634	126.54
2	A'	3537	3353	89.42
3	A'	2239	2123	126.37
4	A'	1250	1185	87.61
5	A'	1073	1017	86.85
6	A'	562	533	55.03
7	A'	285	271	9.22
8	A"	504	478	47.53
9	A"	223	212	18.92

Atom	x (Å)	y (Å)
C1	0.000	0.121
C2	0.027	1.330
O3	-0.124	-1.189
H4	0.074	2.388
H5	0.759	-1.579

	C1	C2	O3	H4	H5
C1		1.2088	1.3163	2.2683	1.8622
C2	1.2088		2.5234	1.0597	2.9998
O3	1.3163	2.5234		3.5830	0.9655
H4	2.2683	1.0597	3.5830		4.0265
H5	1.8622	2.9998	0.9655	4.0265

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	178.751		C1	O3	H5	108.421
C2	C1	O3	175.859

All results from a given calculation for HCCOH (ethynol)

using model chemistry: MP2/TZVP

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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