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	hartrees
Energy at 0K	-152.104561
Energy at 298.15K	-152.105070
HF Energy	-151.667233
Nuclear repulsion energy	57.651820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3864	3619	105.03
2	A'	3571	3344	80.26
3	A'	2255	2112	89.09
4	A'	1267	1186	103.28
5	A'	1077	1008	76.51
6	A'	575	539	44.79
7	A'	330	309	10.11
8	A"	516	483	32.34
9	A"	311	291	22.50

Atom	x (Å)	y (Å)
C1	0.000	0.123
C2	0.149	1.330
O3	-0.226	-1.183
H4	0.285	2.382
H5	0.625	-1.642

	C1	C2	O3	H4	H5
C1		1.2164	1.3253	2.2763	1.8722
C2	1.2164		2.5409	1.0599	3.0099
O3	1.3253	2.5409		3.6007	0.9667
H4	2.2763	1.0599	3.6007		4.0375
H5	1.8722	3.0099	0.9667	4.0375

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.657		C1	O3	H5	108.534
C2	C1	O3	177.237

All results from a given calculation for HCCOH (ethynol)

using model chemistry: MP2/6-31G**

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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