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	hartrees
Energy at 0K	-265.764249
Energy at 298.15K	-265.769172
HF Energy	-265.764249
Nuclear repulsion energy	164.728131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4105	3714	132.80
2	A'	3392	3068	2.65
3	A'	3352	3032	1.28
4	A'	3302	2987	5.66
5	A'	1981	1792	566.54
6	A'	1822	1648	16.15
7	A'	1567	1417	38.50
8	A'	1488	1346	88.73
9	A'	1416	1281	3.39
10	A'	1331	1204	198.69
11	A'	1128	1021	58.82
12	A'	902	816	11.24
13	A'	639	578	50.86
14	A'	576	521	6.99
15	A'	305	276	1.61
16	A"	1143	1034	13.54
17	A"	1122	1015	50.96
18	A"	930	841	52.90
19	A"	627	567	85.55
20	A"	528	478	28.75
21	A"	123	111	0.00

Atom	x (Å)	y (Å)
O1	1.314	0.376
H2	1.735	1.222
O3	-0.485	1.645
C4	0.000	0.565
C5	-0.796	-0.684
H6	-1.856	-0.523
C7	-0.271	-1.891
H8	0.790	-2.045
H9	-0.897	-2.763

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9451	2.2015	1.3274	2.3614	3.2947	2.7663	2.4772	3.8394
H2	0.9451		2.2596	1.8550	3.1686	3.9923	3.7036	3.4012	4.7757
O3	2.2015	2.2596		1.1841	2.3504	2.5655	3.5428	3.9042	4.4270
C4	1.3274	1.8550	1.1841		1.4815	2.1514	2.4711	2.7269	3.4465
C5	2.3614	3.1686	2.3504	1.4815		1.0719	1.3159	2.0895	2.0805
H6	3.2947	3.9923	2.5655	2.1514	1.0719		2.0932	3.0519	2.4355
C7	2.7663	3.7036	3.5428	2.4711	1.3159	2.0932		1.0720	1.0732
H8	2.4772	3.4012	3.9042	2.7269	2.0895	3.0519	1.0720		1.8336
H9	3.8394	4.7757	4.4270	3.4465	2.0805	2.4355	1.0732	1.8336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.362	O1	C4	C5	114.316
H2	O1	C4	108.258	O3	C4	C5	123.322
C4	C5	H6	113.855	C4	C5	C7	123.992
C5	C7	H8	121.762	C5	C7	H9	120.780
H6	C5	C7	122.153	H8	C7	H9	117.457

All results from a given calculation for C₃H₄O₂ (2-Propenoic acid)

using model chemistry: HF/daug-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	O	-1.288
2	H	0.418
3	O	-1.107
4	C	1.521
5	C	0.018
6	H	0.619
7	C	-1.413
8	H	0.824
9	H	0.408

	x	y	z	Total
	1.036	-2.263	0.000	2.489
CHELPG
AIM
ESP

	x	y	z
x	6.000	-0.417	0.000
y	-0.417	8.731	0.000
z	0.000	0.000	4.405

<r²>	108.258
(<r²>)^1/2	10.405

All results from a given calculation for C3H4O2 (2-Propenoic acid)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O₂ (2-Propenoic acid)