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	hartrees
Energy at 0K	-266.068214
Energy at 298.15K	-266.072709
HF Energy	-265.568667
Nuclear repulsion energy	158.138750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3625	3491	56.04
2	A'	3284	3163	10.16
3	A'	3212	3093	5.64
4	A'	3163	3046	7.36
5	A'	1694	1632	91.38
6	A'	1607	1547	117.19
7	A'	1467	1413	10.79
8	A'	1352	1302	29.90
9	A'	1314	1266	16.65
10	A'	1174	1131	109.00
11	A'	998	961	194.28
12	A'	791	762	13.57
13	A'	552	532	31.42
14	A'	512	493	18.21
15	A'	278	267	0.75
16	A"	1008	971	54.84
17	A"	911	878	31.02
18	A"	782	753	37.30
19	A"	587	565	171.89
20	A"	466	449	14.23
21	A"	109	105	0.24

Atom	x (Å)	y (Å)
O1	1.386	0.283
H2	1.913	1.119
O3	-0.430	1.758
C4	0.000	0.573
C5	-0.856	-0.656
H6	-1.931	-0.454
C7	-0.362	-1.931
H8	0.713	-2.122
H9	-1.037	-2.790

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9886	2.3395	1.4161	2.4309	3.3979	2.8204	2.4972	3.9134
H2	0.9886		2.4284	1.9895	3.2895	4.1535	3.8049	3.4562	4.8976
O3	2.3395	2.4284		1.2602	2.4511	2.6728	3.6894	4.0447	4.5883
C4	1.4161	1.9895	1.2602		1.4980	2.1871	2.5301	2.7880	3.5197
C5	2.4309	3.2895	2.4511	1.4980		1.0936	1.3677	2.1478	2.1419
H6	3.3979	4.1535	2.6728	2.1871	1.0936		2.1555	3.1266	2.5018
C7	2.8204	3.8049	3.6894	2.5301	1.3677	2.1555		1.0916	1.0930
H8	2.4972	3.4562	4.0447	2.7880	2.1478	3.1266	1.0916		1.8735
H9	3.9134	4.8976	4.5883	3.5197	2.1419	2.5018	1.0930	1.8735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	121.779	O1	C4	C5	113.032
H2	O1	C4	110.382	O3	C4	C5	125.189
C4	C5	H6	114.207	C4	C5	C7	123.926
C5	C7	H8	121.289	C5	C7	H9	120.616
H6	C5	C7	121.867	H8	C7	H9	118.096

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

using model chemistry: MP2/LANL2DZ

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

using model chemistry: MP2/LANL2DZ

States and conformations

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