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	hartrees
Energy at 0K	-264.504465
Energy at 298.15K	-264.506489
HF Energy	-264.504465
Nuclear repulsion energy	146.537018

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4108	3732	150.50
2	A'	3622	3290	48.23
3	A'	2404	2184	96.65
4	A'	2014	1830	541.99
5	A'	1488	1352	145.91
6	A'	1324	1203	424.79
7	A'	890	808	50.98
8	A'	838	761	41.86
9	A'	665	605	9.70
10	A'	581	528	29.11
11	A'	222	202	6.21
12	A"	890	809	10.84
13	A"	872	792	105.83
14	A"	621	564	105.47
15	A"	281	255	11.21

Atom	x (Å)	y (Å)
C1	0.000	0.497
C2	-0.239	-0.941
C3	-0.462	-2.101
O4	1.290	0.780
O5	-0.855	1.306
H6	-0.662	-3.138
H7	1.390	1.721

	C1	C2	C3	O4	O5	H6	H7
C1		1.4579	2.6393	1.3203	1.1774	3.6952	1.8517
C2	1.4579		1.1816	2.3014	2.3305	2.2377	3.1205
C3	2.6393	1.1816		3.3716	3.4304	1.0560	4.2472
O4	1.3203	2.3014	3.3716		2.2087	4.3771	0.9467
O5	1.1774	2.3305	3.4304	2.2087		4.4488	2.2829
H6	3.6952	2.2377	1.0560	4.3771	4.4488		5.2747
H7	1.8517	3.1205	4.2472	0.9467	2.2829	5.2747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.532	C1	O4	H7	108.411
C2	C1	O4	111.771	C2	C1	O5	123.995
C2	C3	H6	179.949	O4	C1	O5	124.234

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

using model chemistry: HF/6-311G**

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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Number	Element	Mulliken
1	C	0.411
2	C	0.029
3	C	-0.060
4	O	-0.383
5	O	-0.410
6	H	0.133
7	H	0.280

	x	y	z	Total
	1.350	-1.193	0.000	1.801
CHELPG
AIM
ESP

	x	y	z
x	3.846	0.468	0.000
y	0.468	7.371	0.000
z	0.000	0.000	2.453

<r²>	103.992
(<r²>)^1/2	10.198

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

using model chemistry: HF/6-311G**

States and conformations

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