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	hartrees
Energy at 0K	-152.098150
Energy at 298.15K	-152.098701
HF Energy	-151.658275
Nuclear repulsion energy	57.640727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3739	3523	110.33
2	A'	3552	3346	80.26
3	A'	2259	2129	86.46
4	A'	1284	1210	112.87
5	A'	1078	1016	74.09
6	A'	577	543	48.38
7	A'	344	324	10.59
8	A"	516	486	33.56
9	A"	338	318	25.15

Atom	x (Å)	y (Å)
C1	0.000	0.124
C2	0.145	1.330
O3	-0.223	-1.182
H4	0.280	2.384
H5	0.633	-1.648

	C1	C2	O3	H4	H5
C1		1.2146	1.3244	2.2782	1.8809
C2	1.2146		2.5382	1.0636	3.0168
O3	1.3244	2.5382		3.6017	0.9744
H4	2.2782	1.0636	3.6017		4.0474
H5	1.8809	3.0168	0.9744	4.0474

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.538		C1	O3	H5	108.857
C2	C1	O3	177.163

All results from a given calculation for HCCOH (ethynol)

using model chemistry: MP2=FULL/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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