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	hartrees
Energy at 0K	-267.107819
Energy at 298.15K	-267.112369
Nuclear repulsion energy	160.664549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3553	3559	44.45
2	A'	3171	3176	5.18
3	A'	3114	3119	2.96
4	A'	3071	3076	5.05
5	A'	1729	1731	243.19
6	A'	1628	1630	13.33
7	A'	1390	1392	22.42
8	A'	1314	1316	29.19
9	A'	1262	1264	1.82
10	A'	1162	1164	153.42
11	A'	991	993	86.50
12	A'	802	803	4.72
13	A'	561	562	37.22
14	A'	512	513	6.70
15	A'	273	273	0.57
16	A"	1001	1002	14.63
17	A"	953	955	20.14
18	A"	803	804	27.29
19	A"	595	596	77.04
20	A"	467	468	9.03
21	A"	114	114	0.06

Atom	x (Å)	y (Å)
O1	1.357	0.334
H2	1.766	1.231
O3	-0.471	1.704
C4	0.000	0.572
C5	-0.818	-0.674
H6	-1.901	-0.486
C7	-0.309	-1.923
H8	0.776	-2.094
H9	-0.967	-2.804

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9858	2.2842	1.3776	2.3972	3.3596	2.8057	2.4970	3.9055
H2	0.9858		2.2859	1.8849	3.2103	4.0491	3.7758	3.4697	4.8740
O3	2.2842	2.2859		1.2265	2.4041	2.6165	3.6312	3.9980	4.5361
C4	1.3776	1.8849	1.2265		1.4906	2.1757	2.5142	2.7768	3.5121
C5	2.3972	3.2103	2.4041	1.4906		1.0994	1.3483	2.1344	2.1352
H6	3.3596	4.0491	2.6165	2.1757	1.0994		2.1441	3.1225	2.4989
C7	2.8057	3.7758	3.6312	2.5142	1.3483	2.1441		1.0986	1.0997
H8	2.4970	3.4697	3.9980	2.7768	2.1344	3.1225	1.0986		1.8822
H9	3.9055	4.8740	4.5361	3.5121	2.1352	2.4989	1.0997	1.8822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.500	O1	C4	C5	113.336
H2	O1	C4	104.568	O3	C4	C5	124.165
C4	C5	H6	113.430	C4	C5	C7	124.577
C5	C7	H8	121.113	C5	C7	H9	121.102
H6	C5	C7	121.994	H8	C7	H9	117.784

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

using model chemistry: BLYP/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	-0.148
2	H	0.140
3	O	-0.210
4	C	0.120
5	C	-0.026
6	H	-0.016
7	C	0.107
8	H	0.018
9	H	0.015

	x	y	z	Total
	0.818	-1.617	0.000	1.812
CHELPG
AIM
ESP

	x	y	z
x	6.096	-0.005	0.000
y	-0.005	8.701	0.000
z	0.000	0.000	2.598

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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