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	hartrees
Energy at 0K	-265.154272
Energy at 298.15K	-265.155812
HF Energy	-264.423512
Nuclear repulsion energy	143.600958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3678	3468	97.20
2	A'	3516	3315	54.41
3	A'	2181	2056	67.69
4	A'	1818	1714	256.54
5	A'	1399	1320	99.91
6	A'	1206	1137	370.67
7	A'	836	788	26.86
8	A'	628	592	39.38
9	A'	586	553	3.93
10	A'	529	499	28.52
11	A'	186	175	3.92
12	A"	764	721	79.28
13	A"	643	606	60.09
14	A"	582	549	60.26
15	A"	240	227	3.17

Atom	x (Å)	y (Å)
C1	0.000	0.491
C2	-0.212	-0.942
C3	-0.465	-2.136
O4	1.320	0.793
O5	-0.892	1.322
H6	-0.728	-3.171
H7	1.364	1.773

	C1	C2	C3	O4	O5	H6	H7
C1		1.4487	2.6677	1.3545	1.2194	3.7332	1.8717
C2	1.4487		1.2203	2.3149	2.3645	2.2873	3.1392
C3	2.6677	1.2203		3.4302	3.4845	1.0675	4.3156
O4	1.3545	2.3149	3.4302		2.2748	4.4614	0.9810
O5	1.2194	2.3645	3.4845	2.2748		4.4960	2.3002
H6	3.7332	2.2873	1.0675	4.4614	4.4960		5.3677
H7	1.8717	3.1392	4.3156	0.9810	2.3002	5.3677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.425	C1	O4	H7	105.414
C2	C1	O4	111.294	C2	C1	O5	124.578
C2	C3	H6	177.762	O4	C1	O5	124.128

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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