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	hartrees
Energy at 0K	-50.929417
Energy at 298.15K	-50.933957
HF Energy	-50.186541
Nuclear repulsion energy	86.916360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3721	3546	74.87
2	A'	3303	3147	3.89
3	A'	3243	3090	1.98
4	A'	3192	3041	3.83
5	A'	1782	1698	266.16
6	A'	1656	1578	33.47
7	A'	1461	1392	26.76
8	A'	1374	1309	44.09
9	A'	1309	1248	1.40
10	A'	1230	1172	189.45
11	A'	1036	987	90.39
12	A'	835	796	7.52
13	A'	574	547	40.97
14	A'	524	500	6.93
15	A'	283	270	0.71
16	A"	1008	961	41.23
17	A"	900	858	41.38
18	A"	784	747	30.76
19	A"	602	574	107.71
20	A"	469	447	9.86
21	A"	88	84	0.11

Atom	x (Å)	y (Å)
O1	1.341	0.279
H2	1.787	1.151
O3	-0.425	1.724
C4	0.000	0.571
C5	-0.866	-0.643
H6	-1.932	-0.430
C7	-0.380	-1.902
H8	0.688	-2.095
H9	-1.054	-2.754

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9790	2.2818	1.3726	2.3924	3.3492	2.7789	2.4622	3.8653
H2	0.9790		2.2853	1.8789	3.2030	4.0415	3.7442	3.4266	4.8295
O3	2.2818	2.2853		1.2287	2.4079	2.6298	3.6268	3.9778	4.5227
C4	1.3726	1.8789	1.2287		1.4916	2.1763	2.5027	2.7534	3.4888
C5	2.3924	3.2030	2.4079	1.4916		1.0864	1.3500	2.1270	2.1199
H6	3.3492	4.0415	2.6298	2.1763	1.0864		2.1384	3.1036	2.4839
C7	2.7789	3.7442	3.6268	2.5027	1.3500	2.1384		1.0854	1.0863
H8	2.4622	3.4266	3.9778	2.7534	2.1270	3.1036	1.0854		1.8627
H9	3.8653	4.8295	4.5227	3.4888	2.1199	2.4839	1.0863	1.8627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.509	O1	C4	C5	113.227
H2	O1	C4	104.827	O3	C4	C5	124.265
C4	C5	H6	114.256	C4	C5	C7	123.383
C5	C7	H8	121.319	C5	C7	H9	120.559
H6	C5	C7	122.361	H8	C7	H9	118.123

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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