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	hartrees
Energy at 0K	-265.190425
Energy at 298.15K	-265.192043
HF Energy	-264.434346
Nuclear repulsion energy	143.859743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3838	3614	79.88
2	A'	3521	3315	42.09
3	A'	2233	2102	75.92
4	A'	1848	1740	308.65
5	A'	1410	1327	98.92
6	A'	1220	1148	359.20
7	A'	837	788	31.32
8	A'	643	605	39.61
9	A'	596	561	3.66
10	A'	533	502	28.06
11	A'	192	180	3.68
12	A"	769	724	85.89
13	A"	661	622	2.11
14	A"	613	577	102.94
15	A"	246	232	4.65

Atom	x (Å)	y (Å)
C1	0.000	0.496
C2	-0.233	-0.943
C3	-0.478	-2.131
O4	1.322	0.778
O5	-0.876	1.334
H6	-0.688	-3.175
H7	1.388	1.745

	C1	C2	C3	O4	O5	H6	H7
C1		1.4575	2.6697	1.3516	1.2126	3.7341	1.8678
C2	1.4575		1.2129	2.3195	2.3663	2.2773	3.1393
C3	2.6697	1.2129		3.4210	3.4878	1.0645	4.3021
O4	1.3516	2.3195	3.4210		2.2670	4.4343	0.9693
O5	1.2126	2.3663	3.4878	2.2670		4.5126	2.3013
H6	3.7341	2.2773	1.0645	4.4343	4.5126		5.3399
H7	1.8678	3.1393	4.3021	0.9693	2.3013	5.3399

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.528	C1	O4	H7	106.004
C2	C1	O4	111.265	C2	C1	O5	124.549
C2	C3	H6	179.694	O4	C1	O5	124.186

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

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

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