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	hartrees
Energy at 0K	-265.464104
Energy at 298.15K	-265.465802
HF Energy	-264.537038
Nuclear repulsion energy	144.938649

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3825	3661	102.35
2	A'	3481	3332	49.34
3	A'	2250	2153	67.31
4	A'	1867	1787	375.29
5	A'	1399	1339	105.08
6	A'	1222	1170	365.98
7	A'	839	803	32.45
8	A'	703	673	33.65
9	A'	602	577	6.44
10	A'	540	516	23.81
11	A'	185	177	5.35
12	A"	790	756	59.00
13	A"	733	701	20.73
14	A"	597	572	85.39
15	A"	241	231	7.31

Atom	x (Å)	y (Å)
C1	0.000	0.495
C2	-0.239	-0.940
C3	-0.475	-2.117
O4	1.311	0.775
O5	-0.864	1.324
H6	-0.683	-3.159
H7	1.388	1.737

	C1	C2	C3	O4	O5	H6	H7
C1		1.4550	2.6555	1.3408	1.1973	3.7180	1.8618
C2	1.4550		1.2009	2.3117	2.3487	2.2635	3.1320
C3	2.6555	1.2009		3.3994	3.4633	1.0626	4.2805
O4	1.3408	2.3117	3.3994		2.2437	4.4111	0.9647
O5	1.1973	2.3487	3.4633	2.2437		4.4869	2.2893
H6	3.7180	2.2635	1.0626	4.4111	4.4869		5.3160
H7	1.8618	3.1320	4.2805	0.9647	2.2893	5.3160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.111	C1	O4	H7	106.569
C2	C1	O4	111.485	C2	C1	O5	124.350
C2	C3	H6	179.985	O4	C1	O5	124.165

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

using model chemistry: CCD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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