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	hartrees
Energy at 0K	-265.048866
Energy at 298.15K	-265.050708
HF Energy	-264.429389
Nuclear repulsion energy	145.180814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3873	3577	114.53
2	A'	3596	3322	45.19
3	A'	2358	2178	87.18
4	A'	1955	1805	395.66
5	A'	1463	1352	132.22
6	A'	1282	1184	378.42
7	A'	872	805	38.01
8	A'	732	676	43.45
9	A'	634	586	7.29
10	A'	557	515	30.70
11	A'	210	194	4.73
12	A"	818	755	90.98
13	A"	750	693	18.39
14	A"	642	593	108.65
15	A"	276	255	6.81

Atom	x (Å)	y (Å)
C1	0.000	0.493
C2	-0.236	-0.940
C3	-0.470	-2.113
O4	1.307	0.775
O5	-0.866	1.322
H6	-0.676	-3.155
H7	1.387	1.738

	C1	C2	C3	O4	O5	H6	H7
C1		1.4521	2.6478	1.3366	1.1982	3.7102	1.8639
C2	1.4521		1.1960	2.3063	2.3472	2.2586	3.1315
C3	2.6478	1.1960		3.3902	3.4569	1.0625	4.2754
O4	1.3366	2.3063	3.3902		2.2400	4.4015	0.9672
O5	1.1982	2.3472	3.4569	2.2400		4.4806	2.2906
H6	3.7102	2.2586	1.0625	4.4015	4.4806		5.3105
H7	1.8639	3.1315	4.2754	0.9672	2.2906	5.3105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.073	C1	O4	H7	106.918
C2	C1	O4	111.521	C2	C1	O5	124.388
C2	C3	H6	179.879	O4	C1	O5	124.090

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

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

States and conformations

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