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	hartrees
Energy at 0K	-265.527386
Energy at 298.15K
HF Energy	-264.534079
Nuclear repulsion energy	145.331835

Atom	x (Å)	y (Å)
C1	0.000	0.493
C2	-0.234	-0.936
C3	-0.469	-2.112
O4	1.307	0.776
O5	-0.867	1.317
H6	-0.677	-3.148
H7	1.373	1.737

	C1	C2	C3	O4	O5	H6	H7
C1		1.4482	2.6464	1.3375	1.1960	3.7029	1.8528
C2	1.4482		1.1986	2.3041	2.3403	2.2552	3.1194
C3	2.6464	1.1986		3.3904	3.4518	1.0566	4.2670
O4	1.3375	2.3041	3.3904		2.2400	4.3969	0.9633
O5	1.1960	2.3403	3.4518	2.2400		4.4689	2.2782
H6	3.7029	2.2552	1.0566	4.3969	4.4689		5.2975
H7	1.8528	3.1194	4.2670	0.9633	2.2782	5.2975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.025	C1	O4	H7	106.130
C2	C1	O4	111.549	C2	C1	O5	124.255
C2	C3	H6	179.960	O4	C1	O5	124.197

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

using model chemistry: CCSD=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: CCSD=FULL/cc-pVTZ

States and conformations

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