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	hartrees
Energy at 0K	-265.302782
Energy at 298.15K	-265.304124
HF Energy	-264.463369
Nuclear repulsion energy	142.397849

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3655	3571
2	A'	3475	3395
3	A'	2154	2104
4	A'	1778	1737
5	A'	1389	1357
6	A'	1192	1164
7	A'	820	801
8	A'	599	585
9	A'	566	553
10	A'	521	509
11	A'	184	180
12	A"	751	734
13	A"	633	618
14	A"	562	549
15	A"	229	224

Atom	x (Å)	y (Å)
C1	0.000	0.498
C2	-0.207	-0.952
C3	-0.483	-2.155
O4	1.331	0.807
O5	-0.899	1.329
H6	-0.695	-3.212
H7	1.376	1.781

	C1	C2	C3	O4	O5	H6	H7
C1		1.4644	2.6967	1.3669	1.2248	3.7744	1.8822
C2	1.4644		1.2346	2.3368	2.3842	2.3122	3.1589
C3	2.6967	1.2346		3.4740	3.5095	1.0778	4.3540
O4	1.3669	2.3368	3.4740		2.2908	4.5010	0.9755
O5	1.2248	2.3842	3.5095	2.2908		4.5463	2.3199
H6	3.7744	2.3122	1.0778	4.5010	4.5463		5.4061
H7	1.8822	3.1589	4.3540	0.9755	2.3199	5.4061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.182	C1	O4	H7	105.725
C2	C1	O4	111.199	C2	C1	O5	124.654
C2	C3	H6	178.373	O4	C1	O5	124.147

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

using model chemistry: MP4/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: MP4/aug-cc-pVDZ

States and conformations

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