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	hartrees
Energy at 0K	-265.203116
Energy at 298.15K	-265.204573
HF Energy	-264.422195
Nuclear repulsion energy	143.148779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3655	3490
2	A'	3475	3318
3	A'	2154	2056
4	A'	1778	1698
5	A'	1389	1327
6	A'	1192	1138
7	A'	820	783
8	A'	599	572
9	A'	566	540
10	A'	521	498
11	A'	184	176
12	A"	751	718
13	A"	633	604
14	A"	562	537
15	A"	229	219

Atom	x (Å)	y (Å)
C1	0.000	0.494
C2	-0.220	-0.945
C3	-0.481	-2.138
O4	1.328	0.785
O5	-0.887	1.335
H6	-0.698	-3.187
H7	1.381	1.765

	C1	C2	C3	O4	O5	H6	H7
C1		1.4550	2.6756	1.3594	1.2228	3.7462	1.8772
C2	1.4550		1.2220	2.3212	2.3752	2.2928	3.1475
C3	2.6756	1.2220		3.4380	3.4970	1.0708	4.3251
O4	1.3594	2.3212	3.4380		2.2823	4.4590	0.9818
O5	1.2228	2.3752	3.4970	2.2823		4.5258	2.3084
H6	3.7462	2.2928	1.0708	4.4590	4.5258		5.3711
H7	1.8772	3.1475	4.3251	0.9818	2.3084	5.3711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.350	C1	O4	H7	105.465
C2	C1	O4	111.079	C2	C1	O5	124.781
C2	C3	H6	179.355	O4	C1	O5	124.140

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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