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	hartrees
Energy at 0K	-49.344182
Energy at 298.15K	-49.345756
HF Energy	-48.825277
Nuclear repulsion energy	72.201481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3566	3481	59.96
2	A'	3411	3329	37.62
3	A'	2080	2030	58.20
4	A'	1604	1566	228.85
5	A'	1309	1278	48.87
6	A'	1085	1059	447.54
7	A'	769	751	15.49
8	A'	737	719	50.83
9	A'	577	564	3.62
10	A'	490	478	28.60
11	A'	194	189	5.50
12	A"	713	696	68.11
13	A"	629	614	1.61
14	A"	577	563	196.04
15	A"	265	259	3.19

Atom	x (Å)	y (Å)
C1	0.000	0.490
C2	-0.276	-0.953
C3	-0.556	-2.163
O4	1.392	0.742
O5	-0.862	1.413
H6	-0.797	-3.207
H7	1.556	1.719

	C1	C2	C3	O4	O5	H6	H7
C1		1.4691	2.7102	1.4144	1.2637	3.7814	1.9826
C2	1.4691		1.2416	2.3784	2.4381	2.3130	3.2396
C3	2.7102	1.2416		3.4975	3.5894	1.0714	4.4187
O4	1.4144	2.3784	3.4975		2.3519	4.5151	0.9901
O5	1.2637	2.4381	3.5894	2.3519		4.6206	2.4373
H6	3.7814	2.3130	1.0714	4.5151	4.6206		5.4586
H7	1.9826	3.2396	4.4187	0.9901	2.4373	5.4586

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.834	C1	O4	H7	109.819
C2	C1	O4	111.126	C2	C1	O5	126.124
C2	C3	H6	179.973	O4	C1	O5	122.750

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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