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	hartrees
Energy at 0K	-265.522383
Energy at 298.15K	-265.524077
HF Energy	-264.531571
Nuclear repulsion energy	144.843339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3774	3583	106.55
2	A'	3506	3329	58.76
3	A'	2173	2063	61.27
4	A'	1808	1716	278.10
5	A'	1381	1311	112.58
6	A'	1186	1126	343.66
7	A'	834	792	27.17
8	A'	689	654	33.18
9	A'	593	563	5.82
10	A'	532	505	24.57
11	A'	183	174	5.00
12	A"	787	747	47.29
13	A"	707	671	27.62
14	A"	615	583	84.92
15	A"	260	247	7.18

Atom	x (Å)	y (Å)
C1	0.000	0.490
C2	-0.225	-0.933
C3	-0.471	-2.117
O4	1.312	0.779
O5	-0.875	1.318
H6	-0.684	-3.152
H7	1.363	1.746

	C1	C2	C3	O4	O5	H6	H7
C1		1.4407	2.6491	1.3437	1.2051	3.7058	1.8537
C2	1.4407		1.2092	2.3008	2.3436	2.2661	3.1144
C3	2.6491	1.2092		3.4011	3.4589	1.0569	4.2764
O4	1.3437	2.3008	3.4011		2.2531	4.4091	0.9683
O5	1.2051	2.3436	3.4589	2.2531		4.4744	2.2792
H6	3.7058	2.2661	1.0569	4.4091	4.4744		5.3088
H7	1.8537	3.1144	4.2764	0.9683	2.2792	5.3088

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.198	C1	O4	H7	105.445
C2	C1	O4	111.390	C2	C1	O5	124.450
C2	C3	H6	179.860	O4	C1	O5	124.160

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

using model chemistry: MP2=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: MP2=FULL/cc-pVTZ

States and conformations

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