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	hartrees
Energy at 0K	-264.829877
Energy at 298.15K	-264.831546
HF Energy	-264.303625
Nuclear repulsion energy	141.749118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3648	3500	52.40
2	A'	3446	3307	33.17
3	A'	2219	2129	54.58
4	A'	1755	1683	241.77
5	A'	1400	1344	57.28
6	A'	1160	1113	404.72
7	A'	814	781	16.59
8	A'	733	704	44.14
9	A'	619	594	10.88
10	A'	525	504	29.76
11	A'	203	194	4.40
12	A"	749	719	50.76
13	A"	668	641	49.06
14	A"	611	586	171.83
15	A"	248	238	5.63

Atom	x (Å)	y (Å)
C1	0.000	0.486
C2	-0.261	-0.949
C3	-0.524	-2.143
O4	1.359	0.764
O5	-0.863	1.373
H6	-0.754	-3.191
H7	1.501	1.735

	C1	C2	C3	O4	O5	H6	H7
C1		1.4584	2.6806	1.3872	1.2377	3.7536	1.9532
C2	1.4584		1.2226	2.3580	2.3983	2.2959	3.2112
C3	2.6806	1.2226		3.4637	3.5320	1.0732	4.3752
O4	1.3872	2.3580	3.4637		2.3043	4.4845	0.9815
O5	1.2377	2.3983	3.5320	2.3043		4.5651	2.3924
H6	3.7536	2.2959	1.0732	4.4845	4.5651		5.4183
H7	1.9532	3.2112	4.3752	0.9815	2.3924	5.4183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.919	C1	O4	H7	109.910
C2	C1	O4	111.894	C2	C1	O5	125.441
C2	C3	H6	179.999	O4	C1	O5	122.665

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)