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	hartrees
Energy at 0K	-267.123765
Energy at 298.15K	-267.128441
Nuclear repulsion energy	162.998393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3773	3633	52.10
2	A'	3254	3132	5.06
3	A'	3206	3086	2.53
4	A'	3159	3041	6.54
5	A'	1831	1763	345.73
6	A'	1700	1636	13.41
7	A'	1454	1400	34.70
8	A'	1380	1328	42.91
9	A'	1314	1265	1.78
10	A'	1230	1184	199.02
11	A'	1042	1003	78.97
12	A'	845	814	8.55
13	A'	590	568	45.24
14	A'	535	515	7.24
15	A'	281	270	0.91
16	A"	1032	994	25.27
17	A"	993	956	38.41
18	A"	843	812	48.88
19	A"	630	606	104.22
20	A"	485	467	14.30
21	A"	111	107	0.18

Atom	x (Å)	y (Å)
O1	1.332	0.340
H2	1.757	1.209
O3	-0.468	1.678
C4	0.000	0.565
C5	-0.808	-0.670
H6	-1.878	-0.492
C7	-0.297	-1.899
H8	0.774	-2.066
H9	-0.939	-2.774

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9667	2.2421	1.3512	2.3667	3.3169	2.7695	2.4705	3.8551
H2	0.9667		2.2731	1.8710	3.1793	4.0135	3.7254	3.4194	4.8099
O3	2.2421	2.2731		1.2065	2.3719	2.5881	3.5804	3.9442	4.4767
C4	1.3512	1.8710	1.2065		1.4759	2.1556	2.4820	2.7429	3.4691
C5	2.3667	3.1793	2.3719	1.4759		1.0850	1.3308	2.1101	2.1085
H6	3.3169	4.0135	2.5881	2.1556	1.0850		2.1161	3.0842	2.4676
C7	2.7695	3.7254	3.5804	2.4820	1.3308	2.1161		1.0845	1.0855
H8	2.4705	3.4194	3.9442	2.7429	2.1101	3.0842	1.0845		1.8539
H9	3.8551	4.8099	4.4767	3.4691	2.1085	2.4676	1.0855	1.8539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.378	O1	C4	C5	113.610
H2	O1	C4	106.465	O3	C4	C5	124.012
C4	C5	H6	113.771	C4	C5	C7	124.252
C5	C7	H8	121.433	C5	C7	H9	121.189
H6	C5	C7	121.978	H8	C7	H9	117.378

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

using model chemistry: B3PW91/6-311G*

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	O	-0.529
2	H	0.404
3	O	-0.351
4	C	0.448
5	C	-0.317
6	H	0.234
7	C	-0.371
8	H	0.248
9	H	0.233

	x	y	z	Total
	0.902	-1.764	0.000	1.982
CHELPG
AIM
ESP

<r²>	109.404
(<r²>)^1/2	10.460

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

using model chemistry: B3PW91/6-311G*

States and conformations

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