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	hartrees
Energy at 0K	-265.261074
Energy at 298.15K	-265.262550
HF Energy	-264.468094
Nuclear repulsion energy	143.298689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3781	3642	89.28
2	A'	3464	3337	45.45
3	A'	2205	2124	70.98
4	A'	1814	1748	359.52
5	A'	1383	1333	72.43
6	A'	1205	1161	385.77
7	A'	825	795	26.59
8	A'	622	599	35.65
9	A'	576	555	6.45
10	A'	524	505	23.78
11	A'	160	154	4.36
12	A"	766	738	61.88
13	A"	646	622	4.45
14	A"	607	584	97.52
15	A"	195	188	5.39

Atom	x (Å)	y (Å)
C1	0.000	0.500
C2	-0.225	-0.949
C3	-0.478	-2.145
O4	1.323	0.796
O5	-0.883	1.329
H6	-0.687	-3.201
H7	1.385	1.765

	C1	C2	C3	O4	O5	H6	H7
C1		1.4667	2.6883	1.3555	1.2111	3.7644	1.8757
C2	1.4667		1.2226	2.3328	2.3714	2.2988	3.1558
C3	2.6883	1.2226		3.4488	3.4982	1.0762	4.3314
O4	1.3555	2.3328	3.4488		2.2691	4.4739	0.9708
O5	1.2111	2.3714	3.4982	2.2691		4.5346	2.3094
H6	3.7644	2.2988	1.0762	4.4739	4.5346		5.3809
H7	1.8757	3.1558	4.3314	0.9708	2.3094	5.3809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	176.904	C1	O4	H7	106.294
C2	C1	O4	111.443	C2	C1	O5	124.376
C2	C3	H6	179.269	O4	C1	O5	124.181

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

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

States and conformations

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