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	hartrees
Energy at 0K	-265.177987
Energy at 298.15K	-265.179652
HF Energy	-264.435584
Nuclear repulsion energy	144.174692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3870	3629	82.42
2	A'	3533	3312	44.19
3	A'	2269	2128	67.81
4	A'	1899	1780	320.03
5	A'	1422	1333	111.09
6	A'	1237	1160	365.92
7	A'	845	793	33.26
8	A'	669	628	38.05
9	A'	604	566	5.53
10	A'	539	505	26.94
11	A'	193	181	3.81
12	A"	777	729	80.33
13	A"	667	625	6.51
14	A"	616	578	109.94
15	A"	253	238	4.46

Atom	x (Å)	y (Å)
C1	0.000	0.496
C2	-0.236	-0.942
C3	-0.479	-2.127
O4	1.319	0.776
O5	-0.871	1.332
H6	-0.687	-3.170
H7	1.392	1.741

	C1	C2	C3	O4	O5	H6	H7
C1		1.4581	2.6668	1.3483	1.2072	3.7306	1.8675
C2	1.4581		1.2092	2.3179	2.3616	2.2731	3.1390
C3	2.6668	1.2092		3.4149	3.4814	1.0640	4.2969
O4	1.3483	2.3179	3.4149		2.2594	4.4273	0.9676
O5	1.2072	2.3616	3.4814	2.2594		4.5063	2.2999
H6	3.7306	2.2731	1.0640	4.4273	4.5063		5.3336
H7	1.8675	3.1390	4.2969	0.9676	2.2999	5.3336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.749	C1	O4	H7	106.325
C2	C1	O4	111.303	C2	C1	O5	124.495
C2	C3	H6	179.728	O4	C1	O5	124.201

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

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

States and conformations

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