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	hartrees
Energy at 0K	-265.583343
Energy at 298.15K
HF Energy	-264.530569
Nuclear repulsion energy	144.396622

Atom	x (Å)	y (Å)
C1	0.000	0.490
C2	-0.224	-0.938
C3	-0.472	-2.123
O4	1.317	0.782
O5	-0.879	1.321
H6	-0.686	-3.160
H7	1.364	1.750

	C1	C2	C3	O4	O5	H6	H7
C1		1.4455	2.6559	1.3489	1.2097	3.7142	1.8567
C2	1.4455		1.2112	2.3093	2.3520	2.2698	3.1218
C3	2.6559	1.2112		3.4123	3.4683	1.0585	4.2865
O4	1.3489	2.3093	3.4123		2.2612	4.4219	0.9687
O5	1.2097	2.3520	3.4683	2.2612		4.4854	2.2839
H6	3.7142	2.2698	1.0585	4.4219	4.4854		5.3207
H7	1.8567	3.1218	4.2865	0.9687	2.2839	5.3207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.090	C1	O4	H7	105.295
C2	C1	O4	111.420	C2	C1	O5	124.460
C2	C3	H6	179.805	O4	C1	O5	124.120

All results from a given calculation for C₃H₂O₂ (Propiolic acid)

using model chemistry: MP4=FULL/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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All results from a given calculation for C3H2O2 (Propiolic acid)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₂O₂ (Propiolic acid)