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	hartrees
Energy at 0K	-267.055859
Energy at 298.15K	-267.060494
Nuclear repulsion energy	162.589223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3734	3572	66.56
2	A'	3279	3137	4.30
3	A'	3228	3088	1.87
4	A'	3187	3049	4.77
5	A'	1845	1765	313.01
6	A'	1713	1639	11.64
7	A'	1467	1403	39.91
8	A'	1393	1333	54.38
9	A'	1318	1261	1.17
10	A'	1229	1176	177.73
11	A'	1046	1001	69.09
12	A'	849	813	8.32
13	A'	584	559	43.48
14	A'	533	510	7.95
15	A'	278	266	0.93
16	A"	1035	990	21.63
17	A"	996	953	33.50
18	A"	832	796	45.38
19	A"	624	597	98.30
20	A"	481	460	10.19
21	A"	108	103	0.11

Atom	x (Å)	y (Å)
O1	1.335	0.342
H2	1.745	1.225
O3	-0.473	1.682
C4	0.000	0.565
C5	-0.807	-0.673
H6	-1.879	-0.495
C7	-0.293	-1.904
H8	0.780	-2.071
H9	-0.935	-2.781

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9732	2.2506	1.3532	2.3699	3.3206	2.7740	2.4760	3.8606
H2	0.9732		2.2650	1.8653	3.1799	4.0110	3.7340	3.4340	4.8194
O3	2.2506	2.2650		1.2132	2.3783	2.5916	3.5908	3.9569	4.4872
C4	1.3532	1.8653	1.2132		1.4776	2.1573	2.4866	2.7491	3.4744
C5	2.3699	3.1799	2.3783	1.4776		1.0861	1.3344	2.1151	2.1125
H6	3.3206	4.0110	2.5916	2.1573	1.0861		2.1208	3.0902	2.4731
C7	2.7740	3.7340	3.5908	2.4866	1.3344	2.1208		1.0859	1.0866
H8	2.4760	3.4340	3.9569	2.7491	2.1151	3.0902	1.0859		1.8557
H9	3.8606	4.8194	4.4872	3.4744	2.1125	2.4731	1.0866	1.8557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.458	O1	C4	C5	113.615
H2	O1	C4	105.438	O3	C4	C5	123.927
C4	C5	H6	113.715	C4	C5	C7	124.248
C5	C7	H8	121.490	C5	C7	H9	121.179
H6	C5	C7	122.037	H8	C7	H9	117.331

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	O	-0.591	-0.552
2	H	0.425	0.414
3	O	-0.476	-0.516
4	C	0.577	0.665
5	C	-0.164	-0.214
6	H	0.194	0.151
7	C	-0.356	-0.296
8	H	0.206	0.178
9	H	0.186	0.170

	x	y	z	Total
	0.897	-1.813	0.000	2.023
CHELPG
AIM
ESP	0.892	-1.845	0.000	2.049

<r²>	109.544
(<r²>)^1/2	10.466

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

using model chemistry: B3PW91/6-31G*

States and conformations

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