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	hartrees
Energy at 0K	-265.679178
Energy at 298.15K	-265.680850
HF Energy	-264.551068
Nuclear repulsion energy	144.941666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3769	3607	112.39
2	A'	3495	3345	60.09
3	A'	2167	2074	60.63
4	A'	1799	1722	296.20
5	A'	1375	1316	112.83
6	A'	1183	1133	350.74
7	A'	834	799	25.86
8	A'	688	659	33.09
9	A'	595	570	5.39
10	A'	532	509	24.94
11	A'	184	176	5.30
12	A"	780	747	50.88
13	A"	698	668	25.16
14	A"	614	587	83.41
15	A"	252	242	6.93

Atom	x (Å)	y (Å)
C1	0.000	0.490
C2	-0.225	-0.933
C3	-0.471	-2.116
O4	1.311	0.779
O5	-0.874	1.317
H6	-0.684	-3.154
H7	1.368	1.744

	C1	C2	C3	O4	O5	H6	H7
C1		1.4406	2.6478	1.3422	1.2037	3.7074	1.8558
C2	1.4406		1.2080	2.3000	2.3422	2.2678	3.1151
C3	2.6478	1.2080		3.3994	3.4566	1.0598	4.2755
O4	1.3422	2.3000	3.3994		2.2501	4.4102	0.9665
O5	1.2037	2.3422	3.4566	2.2501		4.4752	2.2823
H6	3.7074	2.2678	1.0598	4.4102	4.4752		5.3105
H7	1.8558	3.1151	4.2755	0.9665	2.2823	5.3105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.207	C1	O4	H7	105.848
C2	C1	O4	111.432	C2	C1	O5	124.449
C2	C3	H6	179.827	O4	C1	O5	124.119

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

using model chemistry: MP2=FULL/cc-pVQZ

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: MP2=FULL/cc-pVQZ

States and conformations

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