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	hartrees
Energy at 0K	-267.012324
Energy at 298.15K	-267.016876
Nuclear repulsion energy	159.358963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3457	3431	18.11
2	A'	3198	3174	7.80
3	A'	3139	3115	4.07
4	A'	3103	3079	5.99
5	A'	1671	1658	138.04
6	A'	1617	1605	89.68
7	A'	1441	1430	12.54
8	A'	1329	1319	29.10
9	A'	1301	1291	10.36
10	A'	1151	1142	94.06
11	A'	990	983	163.40
12	A'	791	785	5.82
13	A'	558	553	32.89
14	A'	513	509	13.72
15	A'	275	273	0.82
16	A"	1014	1006	18.06
17	A"	986	979	38.23
18	A"	786	780	29.02
19	A"	596	592	135.51
20	A"	470	466	9.73
21	A"	124	123	0.33

Atom	x (Å)	y (Å)
O1	1.381	0.292
H2	1.866	1.160
O3	-0.441	1.736
C4	0.000	0.564
C5	-0.838	-0.654
H6	-1.911	-0.447
C7	-0.356	-1.916
H8	0.717	-2.117
H9	-1.027	-2.780

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9940	2.3239	1.4072	2.4123	3.3737	2.8098	2.4988	3.9026
H2	0.9940		2.3778	1.9590	3.2564	4.1049	3.7949	3.4720	4.8872
O3	2.3239	2.3778		1.2517	2.4227	2.6320	3.6531	4.0226	4.5530
C4	1.4072	1.9590	1.2517		1.4788	2.1621	2.5060	2.7751	3.4977
C5	2.4123	3.2564	2.4227	1.4788		1.0925	1.3512	2.1348	2.1336
H6	3.3737	4.1049	2.6320	2.1621	1.0925		2.1391	3.1133	2.4942
C7	2.8098	3.7949	3.6531	2.5060	1.3512	2.1391		1.0916	1.0928
H8	2.4988	3.4720	4.0226	2.7751	2.1348	3.1133	1.0916		1.8652
H9	3.9026	4.8872	4.5530	3.4977	2.1336	2.4942	1.0928	1.8652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	121.752	O1	C4	C5	113.389
H2	O1	C4	108.110	O3	C4	C5	124.859
C4	C5	H6	113.612	C4	C5	C7	124.572
C5	C7	H8	121.474	C5	C7	H9	121.256
H6	C5	C7	121.816	H8	C7	H9	117.270

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

using model chemistry: BLYP/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
1	O	-0.515
2	H	0.363
3	O	-0.382
4	C	0.386
5	C	-0.032
6	H	0.132
7	C	-0.237
8	H	0.156
9	H	0.128

	x	y	z	Total
	0.700	-1.889	0.000	2.014
CHELPG
AIM
ESP

<r²>	113.209
(<r²>)^1/2	10.640

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

using model chemistry: BLYP/6-31G

States and conformations

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