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	hartrees
Energy at 0K	-266.393423
Energy at 298.15K	-266.398093
HF Energy	-265.651158
Nuclear repulsion energy	162.613076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3781	3548	78.18
2	A'	3319	3116	3.64
3	A'	3268	3068	1.39
4	A'	3228	3030	2.51
5	A'	1921	1803	309.02
6	A'	1742	1635	15.49
7	A'	1502	1410	42.01
8	A'	1432	1344	48.28
9	A'	1344	1261	0.94
10	A'	1274	1196	189.85
11	A'	1072	1006	66.18
12	A'	868	815	8.32
13	A'	596	560	48.16
14	A'	546	513	7.85
15	A'	291	273	0.88
16	A"	1030	967	31.62
17	A"	989	928	27.71
18	A"	824	774	50.52
19	A"	620	582	110.13
20	A"	486	456	10.73
21	A"	99	93	0.07

Atom	x (Å)	y (Å)
O1	1.335	0.336
H2	1.755	1.214
O3	-0.465	1.683
C4	0.000	0.566
C5	-0.817	-0.670
H6	-1.887	-0.493
C7	-0.295	-1.900
H8	0.777	-2.064
H9	-0.933	-2.778

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9734	2.2480	1.3544	2.3749	3.3265	2.7668	2.4640	3.8520
H2	0.9734		2.2689	1.8706	3.1879	4.0221	3.7281	3.4208	4.8124
O3	2.2480	2.2689		1.2097	2.3796	2.5997	3.5873	3.9477	4.4857
C4	1.3544	1.8706	1.2097		1.4820	2.1641	2.4840	2.7428	3.4721
C5	2.3749	3.1879	2.3796	1.4820		1.0849	1.3358	2.1170	2.1110
H6	3.3265	4.0221	2.5997	2.1641	1.0849		2.1245	3.0925	2.4761
C7	2.7668	3.7281	3.5873	2.4840	1.3358	2.1245		1.0843	1.0851
H8	2.4640	3.4208	3.9477	2.7428	2.1170	3.0925	1.0843		1.8526
H9	3.8520	4.8124	4.4857	3.4721	2.1110	2.4761	1.0851	1.8526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.400	O1	C4	C5	113.640
H2	O1	C4	105.784	O3	C4	C5	123.960
C4	C5	H6	114.042	C4	C5	C7	123.579
C5	C7	H8	121.686	C5	C7	H9	121.024
H6	C5	C7	122.379	H8	C7	H9	117.290

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

using model chemistry: MP3/6-31G*

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

using model chemistry: MP3/6-31G*

States and conformations

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