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	hartrees
Energy at 0K	-265.532771
Energy at 298.15K	-265.537744
Nuclear repulsion energy	163.186534

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4002	3613	113.05
2	A'	3448	3114	3.76
3	A'	3399	3069	2.14
4	A'	3351	3025	5.33
5	A'	1931	1744	426.19
6	A'	1831	1653	72.18
7	A'	1596	1441	27.06
8	A'	1504	1358	95.44
9	A'	1449	1309	5.29
10	A'	1300	1174	144.59
11	A'	1145	1034	134.59
12	A'	905	817	3.73
13	A'	635	573	44.53
14	A'	583	527	25.78
15	A'	308	278	1.76
16	A"	1198	1082	26.54
17	A"	1143	1032	63.33
18	A"	906	818	75.79
19	A"	641	579	188.39
20	A"	532	481	31.53
21	A"	144	130	0.20

Atom	x (Å)	y (Å)
O1	1.335	0.326
H2	1.857	1.125
O3	-0.447	1.684
C4	0.000	0.556
C5	-0.821	-0.659
H6	-1.876	-0.471
C7	-0.321	-1.885
H8	0.735	-2.062
H9	-0.964	-2.743

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9540	2.2411	1.3548	2.3705	3.3086	2.7626	2.4618	3.8349
H2	0.9540		2.3708	1.9419	3.2174	4.0594	3.7151	3.3780	4.7873
O3	2.2411	2.3708		1.2141	2.3726	2.5856	3.5713	3.9282	4.4573
C4	1.3548	1.9419	1.2141		1.4659	2.1385	2.4615	2.7186	3.4367
C5	2.3705	3.2174	2.3726	1.4659		1.0715	1.3240	2.0954	2.0892
H6	3.3086	4.0594	2.5856	2.1385	1.0715		2.1014	3.0577	2.4482
C7	2.7626	3.7151	3.5713	2.4615	1.3240	2.1014		1.0714	1.0723
H8	2.4618	3.3780	3.9282	2.7186	2.0954	3.0577	1.0714		1.8312
H9	3.8349	4.7873	4.4573	3.4367	2.0892	2.4482	1.0723	1.8312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	121.381	O1	C4	C5	114.306
H2	O1	C4	113.368	O3	C4	C5	124.313
C4	C5	H6	113.965	C4	C5	C7	123.761
C5	C7	H8	121.673	C5	C7	H9	120.987
H6	C5	C7	122.274	H8	C7	H9	117.340

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

using model chemistry: HF/6-31G

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
1	O	-0.748	-0.838
2	H	0.442	0.520
3	O	-0.560	-0.731
4	C	0.740	1.142
5	C	-0.217	-0.425
6	H	0.230	0.175
7	C	-0.299	-0.120
8	H	0.224	0.136
9	H	0.189	0.140

	x	y	z	Total
	0.946	-2.485	0.000	2.659
CHELPG	0.941	-2.539	0.000	2.707
AIM
ESP

	x	y	z
x	4.848	-0.616	0.000
y	-0.616	8.002	0.000
z	0.000	0.000	1.878

<r²>	109.516
(<r²>)^1/2	10.465

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

using model chemistry: HF/6-31G

States and conformations

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