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	hartrees
Energy at 0K	-264.536327
Energy at 298.15K	-264.538341
HF Energy	-264.536327
Nuclear repulsion energy	146.622741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4092	3724	149.55
2	A'	3619	3293	48.58
3	A'	2401	2186	90.23
4	A'	1997	1818	519.60
5	A'	1485	1352	146.42
6	A'	1312	1195	395.92
7	A'	885	805	48.36
8	A'	825	751	44.14
9	A'	661	602	8.24
10	A'	579	527	26.75
11	A'	220	201	6.31
12	A"	882	803	14.38
13	A"	869	791	92.48
14	A"	624	568	97.29
15	A"	279	254	9.93

Atom	x (Å)	y (Å)
C1	0.000	0.497
C2	-0.241	-0.941
C3	-0.460	-2.100
O4	1.289	0.779
O5	-0.855	1.306
H6	-0.659	-3.135
H7	1.391	1.720

	C1	C2	C3	O4	O5	H6	H7
C1		1.4576	2.6366	1.3195	1.1774	3.6909	1.8524
C2	1.4576		1.1792	2.3014	2.3295	2.2335	3.1212
C3	2.6366	1.1792		3.3679	3.4285	1.0543	4.2442
O4	1.3195	2.3014	3.3679		2.2080	4.3717	0.9465
O5	1.1774	2.3295	3.4285	2.2080		4.4453	2.2841
H6	3.6909	2.2335	1.0543	4.3717	4.4453		5.2698
H7	1.8524	3.1212	4.2442	0.9465	2.2841	5.2698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	178.785	C1	O4	H7	108.545
C2	C1	O4	111.841	C2	C1	O5	123.928
C2	C3	H6	179.817	O4	C1	O5	124.231

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.373
2	C	-0.018
3	C	-0.147
4	O	-0.294
5	O	-0.361
6	H	0.198
7	H	0.250

	x	y	z	Total
	1.417	-1.208	0.000	1.863
CHELPG
AIM
ESP

	x	y	z
x	4.460	0.429	0.000
y	0.429	7.714	0.000
z	0.000	0.000	3.150

<r²>	103.892
(<r²>)^1/2	10.193

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

using model chemistry: HF/cc-pVTZ

States and conformations

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