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	hartrees
Energy at 0K	-265.333891
Energy at 298.15K	-265.335619
HF Energy	-264.460264
Nuclear repulsion energy	145.018028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3853	3650	92.89
2	A'	3526	3340	52.85
3	A'	2273	2153	70.46
4	A'	1903	1802	318.16
5	A'	1420	1345	98.24
6	A'	1235	1169	348.39
7	A'	843	799	34.54
8	A'	695	658	34.58
9	A'	609	577	5.90
10	A'	542	513	25.55
11	A'	196	186	4.23
12	A"	804	761	61.07
13	A"	712	674	19.33
14	A"	619	586	88.49
15	A"	253	240	5.68

Atom	x (Å)	y (Å)
C1	0.000	0.497
C2	-0.237	-0.938
C3	-0.478	-2.116
O4	1.311	0.770
O5	-0.863	1.326
H6	-0.687	-3.158
H7	1.384	1.731

	C1	C2	C3	O4	O5	H6	H7
C1		1.4551	2.6563	1.3395	1.1961	3.7193	1.8539
C2	1.4551		1.2017	2.3054	2.3492	2.2648	3.1229
C3	2.6563	1.2017		3.3953	3.4631	1.0630	4.2736
O4	1.3395	2.3054	3.3953		2.2440	4.4069	0.9641
O5	1.1961	2.3492	3.4631	2.2440		4.4874	2.2825
H6	3.7193	2.2648	1.0630	4.4069	4.4874		5.3095
H7	1.8539	3.1229	4.2736	0.9641	2.2825	5.3095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.797	C1	O4	H7	106.032
C2	C1	O4	111.104	C2	C1	O5	124.485
C2	C3	H6	179.764	O4	C1	O5	124.411

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

using model chemistry: CCD/6-31G(2df,p)

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(2df,p)

States and conformations

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