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	hartrees
Energy at 0K	-265.501587
Energy at 298.15K
HF Energy	-264.530893
Nuclear repulsion energy	144.204077

Atom	x (Å)	y (Å)
C1	0.000	0.495
C2	-0.233	-0.941
C3	-0.474	-2.128
O4	1.319	0.781
O5	-0.875	1.327
H6	-0.686	-3.170
H7	1.373	1.748

	C1	C2	C3	O4	O5	H6	H7
C1		1.4552	2.6656	1.3494	1.2068	3.7293	1.8590
C2	1.4552		1.2109	2.3184	2.3568	2.2747	3.1328
C3	2.6656	1.2109		3.4169	3.4780	1.0638	4.2938
O4	1.3494	2.3184	3.4169		2.2602	4.4308	0.9688
O5	1.2068	2.3568	3.4780	2.2602		4.5012	2.2869
H6	3.7293	2.2747	1.0638	4.4308	4.5012		5.3323
H7	1.8590	3.1328	4.2938	0.9688	2.2869	5.3323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.786	C1	O4	H7	105.442
C2	C1	O4	111.455	C2	C1	O5	124.327
C2	C3	H6	179.949	O4	C1	O5	124.218

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

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

States and conformations

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