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	hartrees
Energy at 0K	-151.921905
Energy at 298.15K	-151.922552
HF Energy	-151.620776
Nuclear repulsion energy	56.345487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3658	3531	83.77
2	A'	3503	3381	62.55
3	A'	2150	2075	75.93
4	A'	1240	1197	123.41
5	A'	967	934	82.48
6	A'	632	610	69.63
7	A'	351	339	14.49
8	A"	573	553	82.45
9	A"	371	358	0.98

Atom	x (Å)	y (Å)
C1	0.000	0.134
C2	0.011	1.372
O3	-0.107	-1.225
H4	0.029	2.441
H5	0.765	-1.680

	C1	C2	O3	H4	H5
C1		1.2382	1.3629	2.3069	1.9688
C2	1.2382		2.5995	1.0686	3.1440
O3	1.3629	2.5995		3.6678	0.9844
H4	2.3069	1.0686	3.6678		4.1859
H5	1.9688	3.1440	0.9844	4.1859

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.539		C1	O3	H5	113.031
C2	C1	O3	175.981

All results from a given calculation for HCCOH (ethynol)

using model chemistry: MP2/SDD

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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