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	hartrees
Energy at 0K	-263.470678
Energy at 298.15K	-263.472331
HF Energy	-262.941725
Nuclear repulsion energy	141.839619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3500	3318	41.69
2	A'	3486	3305	44.11
3	A'	2156	2043	42.75
4	A'	1702	1614	150.13
5	A'	1391	1318	49.83
6	A'	1107	1050	395.78
7	A'	787	747	25.12
8	A'	713	676	33.08
9	A'	610	578	9.26
10	A'	513	487	23.97
11	A'	186	176	4.51
12	A"	785	744	29.64
13	A"	695	659	55.05
14	A"	626	594	139.52
15	A"	259	245	9.01

Atom	x (Å)	y (Å)
C1	0.000	0.486
C2	-0.228	-0.951
C3	-0.549	-2.129
O4	1.364	0.751
O5	-0.866	1.372
H6	-0.797	-3.165
H7	1.477	1.742

	C1	C2	C3	O4	O5	H6	H7
C1		1.4553	2.6727	1.3896	1.2384	3.7371	1.9386
C2	1.4553		1.2213	2.3312	2.4086	2.2857	3.1875
C3	2.6727	1.2213		3.4582	3.5154	1.0647	4.3694
O4	1.3896	2.3312	3.4582		2.3147	4.4730	0.9968
O5	1.2384	2.4086	3.5154	2.3147		4.5370	2.3721
H6	3.7371	2.2857	1.0647	4.4730	4.5370		5.4080
H7	1.9386	3.1875	4.3694	0.9968	2.3721	5.4080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	173.804	C1	O4	H7	107.510
C2	C1	O4	110.027	C2	C1	O5	126.612
C2	C3	H6	178.246	O4	C1	O5	123.361

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

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

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