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	hartrees
Energy at 0K	-265.264499
Energy at 298.15K	-265.265959
HF Energy	-264.467588
Nuclear repulsion energy	143.172317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3773	3655	88.09
2	A'	3462	3354	45.49
3	A'	2194	2125	72.64
4	A'	1793	1737	353.22
5	A'	1377	1334	68.55
6	A'	1197	1160	384.66
7	A'	821	795	25.58
8	A'	618	599	35.29
9	A'	572	554	6.22
10	A'	522	506	23.95
11	A'	159	154	4.36
12	A"	762	738	62.93
13	A"	644	624	3.53
14	A"	606	587	95.86
15	A"	193	187	5.43

Atom	x (Å)	y (Å)
C1	0.000	0.500
C2	-0.224	-0.950
C3	-0.478	-2.147
O4	1.324	0.797
O5	-0.885	1.330
H6	-0.688	-3.202
H7	1.384	1.766

	C1	C2	C3	O4	O5	H6	H7
C1		1.4664	2.6890	1.3571	1.2134	3.7652	1.8765
C2	1.4664		1.2236	2.3340	2.3735	2.2999	3.1565
C3	2.6890	1.2236		3.4515	3.5004	1.0763	4.3336
O4	1.3571	2.3340	3.4515		2.2721	4.4770	0.9713
O5	1.2134	2.3735	3.5004	2.2721		4.5366	2.3104
H6	3.7652	2.2999	1.0763	4.4770	4.5366		5.3836
H7	1.8765	3.1565	4.3336	0.9713	2.3104	5.3836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.806	C1	O4	H7	106.212
C2	C1	O4	111.451	C2	C1	O5	124.409
C2	C3	H6	179.277	O4	C1	O5	124.140

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

using model chemistry: QCISD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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