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	hartrees
Energy at 0K	-152.303986
Energy at 298.15K	-152.304670
HF Energy	-151.726468
Nuclear repulsion energy	57.943809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3818	3722
2	A'	3489	3401
3	A'	2242	2185
4	A'	1283	1250
5	A'	1065	1038
6	A'	613	598
7	A'	368	359
8	A"	531	517
9	A"	390	380

Atom	x (Å)	y (Å)
C1	0.000	0.123
C2	0.107	1.326
O3	-0.190	-1.183
H4	0.206	2.382
H5	0.671	-1.616

	C1	C2	O3	H4	H5
C1		1.2075	1.3194	2.2685	1.8637
C2	1.2075		2.5259	1.0610	2.9951
O3	1.3194	2.5259		3.5868	0.9637
H4	2.2685	1.0610	3.5868		4.0248
H5	1.8637	2.9951	0.9637	4.0248

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.712		C1	O3	H5	108.429
C2	C1	O3	176.806

All results from a given calculation for HCCOH (ethynol)

using model chemistry: CCSD(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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