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	hartrees
Energy at 0K	-264.167739
Energy at 298.15K	-264.172752
Nuclear repulsion energy	163.713272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3887	3520	87.64
2	A'	3433	3109	2.42
3	A'	3396	3075	1.24
4	A'	3342	3027	4.89
5	A'	1963	1778	367.19
6	A'	1839	1666	11.71
7	A'	1599	1448	27.25
8	A'	1493	1352	67.85
9	A'	1448	1311	3.62
10	A'	1286	1165	138.37
11	A'	1138	1031	164.95
12	A'	882	799	7.68
13	A'	635	575	41.27
14	A'	580	525	23.72
15	A'	323	293	1.18
16	A"	1201	1088	10.65
17	A"	1156	1047	80.72
18	A"	927	839	75.19
19	A"	626	567	138.37
20	A"	535	484	56.77
21	A"	158	143	0.87

Atom	x (Å)	y (Å)
O1	1.329	0.278
H2	1.865	1.084
O3	-0.410	1.694
C4	0.000	0.562
C5	-0.840	-0.645
H6	-1.892	-0.450
C7	-0.339	-1.861
H8	0.720	-2.024
H9	-0.972	-2.726

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9677	2.2422	1.3585	2.3567	3.3021	2.7124	2.3820	3.7842
H2	0.9677		2.3551	1.9365	3.2098	4.0580	3.6781	3.3127	4.7502
O3	2.2422	2.3551		1.2044	2.3779	2.6066	3.5560	3.8865	4.4560
C4	1.3585	1.9365	1.2044		1.4698	2.1456	2.4463	2.6844	3.4286
C5	2.3567	3.2098	2.3779	1.4698		1.0701	1.3157	2.0823	2.0859
H6	3.3021	4.0580	2.6066	2.1456	1.0701		2.0987	3.0496	2.4553
C7	2.7124	3.6781	3.5560	2.4463	1.3157	2.0987		1.0708	1.0722
H8	2.3820	3.3127	3.8865	2.6844	2.0823	3.0496	1.0708		1.8313
H9	3.7842	4.7502	4.4560	3.4286	2.0859	2.4553	1.0722	1.8313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	121.937	O1	C4	C5	112.811
H2	O1	C4	111.604	O3	C4	C5	125.252
C4	C5	H6	114.372	C4	C5	C7	122.759
C5	C7	H8	121.173	C5	C7	H9	121.405
H6	C5	C7	122.868	H8	C7	H9	117.421

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

using model chemistry: HF/3-21G

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	CHELPG	ESP
1	O	-0.730	-0.765	-0.749
2	H	0.415	0.483	0.477
3	O	-0.617	-0.660	-0.656
4	C	0.874	1.046	1.059
5	C	-0.367	-0.440	-0.499
6	H	0.272	0.191	0.221
7	C	-0.351	-0.164	-0.201
8	H	0.268	0.154	0.172
9	H	0.237	0.153	0.177

	x	y	z	Total
	0.879	-2.103	0.000	2.279
CHELPG	0.872	-2.148	0.000	2.319
AIM
ESP	0.877	-2.134	0.000	2.307

	x	y	z
x	4.594	-0.454	0.000
y	-0.454	7.377	0.000
z	0.000	0.000	1.501

<r²>	108.295
(<r²>)^1/2	10.406

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

using model chemistry: HF/3-21G

States and conformations

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