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	hartrees
Energy at 0K	-263.462077
Energy at 298.15K	-263.463725
HF Energy	-262.941649
Nuclear repulsion energy	141.822143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3500	3329	41.61
2	A'	3486	3316	44.06
3	A'	2155	2050	42.79
4	A'	1702	1619	150.20
5	A'	1391	1323	49.54
6	A'	1107	1053	396.46
7	A'	787	749	25.08
8	A'	712	678	33.10
9	A'	610	580	9.27
10	A'	513	488	23.90
11	A'	185	176	4.51
12	A"	784	746	30.09
13	A"	694	661	54.48
14	A"	626	595	139.68
15	A"	257	245	8.96

Atom	x (Å)	y (Å)
C1	0.000	0.486
C2	-0.227	-0.951
C3	-0.549	-2.130
O4	1.364	0.752
O5	-0.867	1.371
H6	-0.797	-3.165
H7	1.476	1.743

	C1	C2	C3	O4	O5	H6	H7
C1		1.4556	2.6730	1.3899	1.2385	3.7374	1.9388
C2	1.4556		1.2215	2.3315	2.4089	2.2859	3.1878
C3	2.6730	1.2215		3.4594	3.5152	1.0647	4.3704
O4	1.3899	2.3315	3.4594		2.3150	4.4742	0.9969
O5	1.2385	2.4089	3.5152	2.3150		4.5367	2.3723
H6	3.7374	2.2859	1.0647	4.4742	4.5367		5.4091
H7	1.9388	3.1878	4.3704	0.9969	2.3723	5.4091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	173.710	C1	O4	H7	107.501
C2	C1	O4	110.022	C2	C1	O5	126.610
C2	C3	H6	178.200	O4	C1	O5	123.368

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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