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	hartrees
Energy at 0K	-265.168425
Energy at 298.15K	-265.170024
HF Energy	-264.425943
Nuclear repulsion energy	143.916993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3707	3500	81.51
2	A'	3492	3297	39.45
3	A'	2245	2120	76.23
4	A'	1870	1766	317.51
5	A'	1421	1342	91.36
6	A'	1232	1164	371.28
7	A'	841	794	32.06
8	A'	631	596	42.83
9	A'	599	566	3.97
10	A'	536	506	28.43
11	A'	193	182	3.85
12	A"	773	730	84.86
13	A"	643	607	2.87
14	A"	616	582	113.20
15	A"	244	231	4.62

Atom	x (Å)	y (Å)
C1	0.000	0.495
C2	-0.233	-0.943
C3	-0.479	-2.129
O4	1.321	0.778
O5	-0.874	1.332
H6	-0.687	-3.178
H7	1.387	1.754

	C1	C2	C3	O4	O5	H6	H7
C1		1.4568	2.6675	1.3508	1.2106	3.7371	1.8732
C2	1.4568		1.2113	2.3187	2.3639	2.2810	3.1462
C3	2.6675	1.2113		3.4190	3.4839	1.0697	4.3081
O4	1.3508	2.3187	3.4190		2.2643	4.4367	0.9784
O5	1.2106	2.3639	3.4839	2.2643		4.5144	2.3005
H6	3.7371	2.2810	1.0697	4.4367	4.5144		5.3508
H7	1.8732	3.1462	4.3081	0.9784	2.3005	5.3508

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.503	C1	O4	H7	105.965
C2	C1	O4	111.291	C2	C1	O5	124.546
C2	C3	H6	179.538	O4	C1	O5	124.163

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

using model chemistry: CCSD/6-31G*

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/6-31G*

States and conformations

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