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	hartrees
Energy at 0K	-265.194543
Energy at 298.15K	-265.196157
HF Energy	-264.444682
Nuclear repulsion energy	144.027947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3853	3631	95.51
2	A'	3523	3320	47.10
3	A'	2260	2130	68.47
4	A'	1865	1758	390.83
5	A'	1399	1318	115.21
6	A'	1224	1154	380.03
7	A'	843	794	30.96
8	A'	672	633	44.64
9	A'	598	564	6.34
10	A'	535	504	25.30
11	A'	184	173	5.40
12	A"	772	727	75.22
13	A"	669	630	15.34
14	A"	588	554	113.52
15	A"	240	226	5.29

Atom	x (Å)	y (Å)
C1	0.000	0.496
C2	-0.242	-0.941
C3	-0.479	-2.128
O4	1.321	0.775
O5	-0.870	1.335
H6	-0.690	-3.172
H7	1.407	1.739

	C1	C2	C3	O4	O5	H6	H7
C1		1.4570	2.6673	1.3501	1.2094	3.7320	1.8779
C2	1.4570		1.2105	2.3207	2.3617	2.2754	3.1470
C3	2.6673	1.2105		3.4155	3.4857	1.0649	4.3030
O4	1.3501	2.3207	3.4155		2.2619	4.4293	0.9687
O5	1.2094	2.3617	3.4857	2.2619		4.5109	2.3129
H6	3.7320	2.2754	1.0649	4.4293	4.5109		5.3404
H7	1.8779	3.1470	4.3030	0.9687	2.3129	5.3404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.251	C1	O4	H7	107.014
C2	C1	O4	111.469	C2	C1	O5	124.424
C2	C3	H6	179.855	O4	C1	O5	124.107

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

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

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/6-31+G**

States and conformations

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