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	hartrees
Energy at 0K	-265.499995
Energy at 298.15K
HF Energy	-264.531114
Nuclear repulsion energy	144.273195

Atom	x (Å)	y (Å)
C1	0.000	0.496
C2	-0.234	-0.941
C3	-0.473	-2.127
O4	1.318	0.780
O5	-0.874	1.326
H6	-0.683	-3.170
H7	1.374	1.748

	C1	C2	C3	O4	O5	H6	H7
C1		1.4551	2.6650	1.3483	1.2059	3.7288	1.8585
C2	1.4551		1.2104	2.3172	2.3557	2.2743	3.1320
C3	2.6650	1.2104		3.4149	3.4767	1.0639	4.2922
O4	1.3483	2.3172	3.4149		2.2590	4.4284	0.9687
O5	1.2059	2.3557	3.4767	2.2590		4.5004	2.2868
H6	3.7288	2.2743	1.0639	4.4284	4.5004		5.3304
H7	1.8585	3.1320	4.2922	0.9687	2.2868	5.3304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.833	C1	O4	H7	105.489
C2	C1	O4	111.435	C2	C1	O5	124.303
C2	C3	H6	179.997	O4	C1	O5	124.262

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

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

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

States and conformations

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