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	hartrees
Energy at 0K	-149.899826
Energy at 298.15K	-149.900460
Nuclear repulsion energy	56.175455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3704	3704
2	A'	3681	3681
3	A'	2421	2421
4	A'	1481	1481
5	A'	1023	1023
6	A'	727	727
7	A'	373	373
8	A"	649	649
9	A"	386	386

Atom	x (Å)	y (Å)
C1	0.000	0.147
C2	-0.058	1.357
O3	-0.061	-1.244
H4	-0.094	2.439
H5	0.933	-1.503

	C1	C2	O3	H4	H5
C1		1.2110	1.3927	2.2937	1.8956
C2	1.2110		2.6010	1.0828	3.0265
O3	1.3927	2.6010		3.6833	1.0275
H4	2.2937	1.0828	3.6833		4.0736
H5	1.8956	3.0265	1.0275	4.0736

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	179.209		C1	O3	H5	102.061
C2	C1	O3	174.736

All results from a given calculation for HCCOH (ethynol)

using model chemistry: MP4/STO-3G

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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