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	hartrees
Energy at 0K	-265.446183
Energy at 298.15K	-265.447907
HF Energy	-264.533753
Nuclear repulsion energy	144.986591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3841	3586	99.59
2	A'	3495	3264	49.32
3	A'	2254	2104	66.83
4	A'	1884	1759	349.97
5	A'	1410	1317	107.55
6	A'	1226	1145	357.59
7	A'	840	785	34.51
8	A'	700	653	35.02
9	A'	607	567	6.25
10	A'	541	505	24.28
11	A'	191	179	4.99
12	A"	794	742	59.58
13	A"	727	679	21.78
14	A"	599	559	87.49
15	A"	252	236	7.15

Atom	x (Å)	y (Å)
C1	0.000	0.497
C2	-0.239	-0.940
C3	-0.473	-2.118
O4	1.311	0.775
O5	-0.864	1.323
H6	-0.681	-3.159
H7	1.382	1.736

	C1	C2	C3	O4	O5	H6	H7
C1		1.4561	2.6566	1.3401	1.1961	3.7184	1.8567
C2	1.4561		1.2008	2.3118	2.3478	2.2627	3.1291
C3	2.6566	1.2008		3.3985	3.4632	1.0619	4.2772
O4	1.3401	2.3118	3.3985		2.2431	4.4096	0.9638
O5	1.1961	2.3478	3.4632	2.2431		4.4861	2.2841
H6	3.7184	2.2627	1.0619	4.4096	4.4861		5.3122
H7	1.8567	3.1291	4.2772	0.9638	2.2841	5.3122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.257	C1	O4	H7	106.249
C2	C1	O4	111.467	C2	C1	O5	124.266
C2	C3	H6	179.912	O4	C1	O5	124.267

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

using model chemistry: CCD/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/cc-pVTZ

States and conformations

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