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	hartrees
Energy at 0K	-267.080778
Energy at 298.15K	-267.085449
Nuclear repulsion energy	162.538083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3751	3620	79.94
2	A'	3268	3154	2.02
3	A'	3214	3102	1.20
4	A'	3164	3053	3.34
5	A'	1840	1775	313.77
6	A'	1702	1643	13.19
7	A'	1437	1387	56.48
8	A'	1371	1323	43.74
9	A'	1290	1245	1.40
10	A'	1216	1173	168.35
11	A'	1030	994	60.57
12	A'	846	816	8.03
13	A'	584	564	42.79
14	A'	532	513	7.32
15	A'	278	269	0.77
16	A"	1029	993	17.95
17	A"	992	958	27.29
18	A"	842	812	37.14
19	A"	610	588	84.81
20	A"	484	467	12.67
21	A"	116	112	0.08

Atom	x (Å)	y (Å)
O1	1.334	0.343
H2	1.740	1.226
O3	-0.472	1.682
C4	0.000	0.566
C5	-0.809	-0.673
H6	-1.886	-0.495
C7	-0.292	-1.905
H8	0.789	-2.065
H9	-0.936	-2.788

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9727	2.2481	1.3526	2.3711	3.3275	2.7742	2.4683	3.8672
H2	0.9727		2.2585	1.8614	3.1787	4.0144	3.7332	3.4259	4.8249
O3	2.2481	2.2585		1.2112	2.3783	2.5957	3.5913	3.9526	4.4936
C4	1.3526	1.8614	1.2112		1.4794	2.1642	2.4884	2.7463	3.4823
C5	2.3711	3.1787	2.3783	1.4794		1.0923	1.3364	2.1186	2.1191
H6	3.3275	4.0144	2.5957	2.1642	1.0923		2.1287	3.1015	2.4822
C7	2.7742	3.7332	3.5913	2.4884	1.3364	2.1287		1.0922	1.0929
H8	2.4683	3.4259	3.9526	2.7463	2.1186	3.1015	1.0922		1.8704
H9	3.8672	4.8249	4.4936	3.4823	2.1191	2.4822	1.0929	1.8704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.433	O1	C4	C5	113.628
H2	O1	C4	105.182	O3	C4	C5	123.940
C4	C5	H6	113.759	C4	C5	C7	124.118
C5	C7	H8	121.142	C5	C7	H9	121.128
H6	C5	C7	122.123	H8	C7	H9	117.730

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

using model chemistry: B3PW91/cc-pVDZ

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	-0.188
2	H	0.161
3	O	-0.257
4	C	0.200
5	C	-0.111
6	H	0.038
7	C	0.035
8	H	0.063
9	H	0.059

	x	y	z	Total
	0.907	-1.739	0.000	1.961
CHELPG
AIM
ESP

<r²>	109.703
(<r²>)^1/2	10.474

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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