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	hartrees
Energy at 0K	-152.117545
Energy at 298.15K	-152.117802
HF Energy	-151.657365
Nuclear repulsion energy	57.450563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3712	3544
2	A'	3507	3348
3	A'	2231	2131
4	A'	1290	1232
5	A'	1061	1013
6	A'	544	519
7	A'	277	264
8	A"	490	468
9	A"	205	195

Atom	x (Å)	y (Å)
C1	0.000	0.124
C2	0.084	1.339
O3	-0.174	-1.195
H4	0.181	2.402
H5	0.702	-1.624

	C1	C2	O3	H4	H5
C1		1.2181	1.3300	2.2852	1.8838
C2	1.2181		2.5469	1.0673	3.0269
O3	1.3300	2.5469		3.6142	0.9754
H4	2.2852	1.0673	3.6142		4.0596
H5	1.8838	3.0269	0.9754	4.0596

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	178.737		C1	O3	H5	108.614
C2	C1	O3	176.463

All results from a given calculation for HCCOH (ethynol)

using model chemistry: MP4/6-31G*

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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