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	hartrees
Energy at 0K	-263.462555
Energy at 298.15K	-263.464248
HF Energy	-262.944799
Nuclear repulsion energy	142.387610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3546	3448	27.90
2	A'	3448	3352	34.79
3	A'	2227	2166	41.55
4	A'	1792	1742	182.66
5	A'	1419	1379	42.83
6	A'	1136	1105	395.25
7	A'	796	774	29.20
8	A'	730	710	32.57
9	A'	614	597	11.56
10	A'	521	507	23.54
11	A'	186	181	4.43
12	A"	789	767	24.40
13	A"	721	701	61.28
14	A"	599	582	145.10
15	A"	265	258	9.74

Atom	x (Å)	y (Å)
C1	0.000	0.490
C2	-0.247	-0.949
C3	-0.548	-2.124
O4	1.360	0.745
O5	-0.851	1.372
H6	-0.793	-3.164
H7	1.493	1.729

	C1	C2	C3	O4	O5	H6	H7
C1		1.4608	2.6714	1.3833	1.2255	3.7390	1.9395
C2	1.4608		1.2127	2.3347	2.3990	2.2805	3.1934
C3	2.6714	1.2127		3.4453	3.5094	1.0679	4.3599
O4	1.3833	2.3347	3.4453		2.2981	4.4621	0.9929
O5	1.2255	2.3990	3.5094	2.2981		4.5360	2.3708
H6	3.7390	2.2805	1.0679	4.4621	4.5360		5.3999
H7	1.9395	3.1934	4.3599	0.9929	2.3708	5.3999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	175.333	C1	O4	H7	108.290
C2	C1	O4	110.318	C2	C1	O5	126.290
C2	C3	H6	178.884	O4	C1	O5	123.392

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

using model chemistry: CCD/3-21G

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/3-21G

States and conformations

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