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	hartrees
Energy at 0K	-151.146770
Energy at 298.15K	-151.147594
HF Energy	-150.821951
Nuclear repulsion energy	56.904288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3470	3366
2	A'	3461	3357
3	A'	2211	2144
4	A'	1298	1259
5	A'	1001	971
6	A'	670	649
7	A'	427	414
8	A"	563	546
9	A"	441	428

Atom	x (Å)	y (Å)
C1	0.000	0.137
C2	0.307	1.317
O3	-0.355	-1.166
H4	0.545	2.355
H5	0.451	-1.751

	C1	C2	O3	H4	H5
C1		1.2191	1.3504	2.2843	1.9413
C2	1.2191		2.5695	1.0655	3.0713
O3	1.3504	2.5695		3.6345	0.9962
H4	2.2843	1.0655	3.6345		4.1076
H5	1.9413	3.0713	0.9962	4.1076

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	178.307		C1	O3	H5	110.740
C2	C1	O3	179.356

All results from a given calculation for HCCOH (ethynol)

using model chemistry: MP4/3-21G

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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