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	hartrees
Energy at 0K	-265.212765
Energy at 298.15K	-265.214325
HF Energy	-264.441648
Nuclear repulsion energy	143.609014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3780	3550	104.80
2	A'	3528	3313	58.07
3	A'	2174	2041	65.93
4	A'	1783	1674	322.13
5	A'	1366	1283	120.81
6	A'	1184	1112	374.82
7	A'	833	782	23.90
8	A'	657	617	44.09
9	A'	583	548	4.72
10	A'	525	493	25.47
11	A'	177	166	5.44
12	A"	760	714	65.55
13	A"	641	602	7.60
14	A"	593	557	124.88
15	A"	245	230	4.82

Atom	x (Å)	y (Å)
C1	0.000	0.491
C2	-0.227	-0.937
C3	-0.478	-2.132
O4	1.325	0.779
O5	-0.883	1.333
H6	-0.695	-3.173
H7	1.395	1.750

	C1	C2	C3	O4	O5	H6	H7
C1		1.4461	2.6658	1.3559	1.2204	3.7294	1.8792
C2	1.4461		1.2206	2.3143	2.3632	2.2844	3.1390
C3	2.6658	1.2206		3.4243	3.4884	1.0638	4.3102
O4	1.3559	2.3143	3.4243		2.2763	4.4387	0.9733
O5	1.2204	2.3632	3.4884	2.2763		4.5103	2.3158
H6	3.7294	2.2844	1.0638	4.4387	4.5103		5.3485
H7	1.8792	3.1390	4.3102	0.9733	2.3158	5.3485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	177.175	C1	O4	H7	106.409
C2	C1	O4	111.329	C2	C1	O5	124.600
C2	C3	H6	179.879	O4	C1	O5	124.071

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31+G**

States and conformations

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