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	hartrees
Energy at 0K	-152.304671
Energy at 298.15K	-152.305349
HF Energy	-151.726384
Nuclear repulsion energy	57.927919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3816	3619
2	A'	3488	3309
3	A'	2238	2123
4	A'	1282	1216
5	A'	1063	1009
6	A'	612	580
7	A'	367	348
8	A"	529	502
9	A"	387	367

Atom	x (Å)	y (Å)
C1	0.000	0.123
C2	0.105	1.326
O3	-0.188	-1.183
H4	0.203	2.383
H5	0.674	-1.615

	C1	C2	O3	H4	H5
C1		1.2080	1.3197	2.2691	1.8639
C2	1.2080		2.5267	1.0611	2.9958
O3	1.3197	2.5267		3.5876	0.9639
H4	2.2691	1.0611	3.5876		4.0256
H5	1.8639	2.9958	0.9639	4.0256

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.704		C1	O3	H5	108.408
C2	C1	O3	176.784

All results from a given calculation for HCCOH (ethynol)

using model chemistry: QCISD(T)/cc-pVTZ

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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