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	hartrees
Energy at 0K	-266.455219
Energy at 298.15K	-266.459788
HF Energy	-265.670640
Nuclear repulsion energy	162.128345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3806	3575	92.25
2	A'	3358	3154	1.93
3	A'	3294	3093	1.12
4	A'	3250	3052	2.60
5	A'	1805	1695	273.18
6	A'	1696	1593	42.16
7	A'	1487	1397	25.10
8	A'	1382	1298	83.35
9	A'	1336	1254	1.61
10	A'	1216	1142	148.03
11	A'	1052	988	100.00
12	A'	852	800	7.24
13	A'	581	546	42.31
14	A'	534	501	6.94
15	A'	288	271	0.69
16	A"	1024	962	35.29
17	A"	971	912	31.13
18	A"	800	751	37.07
19	A"	575	540	102.88
20	A"	477	448	13.76
21	A"	79	74	0.20

Atom	x (Å)	y (Å)
O1	1.341	0.324
H2	1.767	1.197
O3	-0.466	1.695
C4	0.000	0.564
C5	-0.817	-0.666
H6	-1.883	-0.490
C7	-0.300	-1.903
H8	0.767	-2.066
H9	-0.946	-2.768

	O1	H2	O3	C4	C5	H6	C7	H8	H9
O1		0.9714	2.2682	1.3623	2.3742	3.3253	2.7666	2.4580	3.8466
H2	0.9714		2.2882	1.8774	3.1855	4.0213	3.7262	3.4129	4.8050
O3	2.2682	2.2882		1.2235	2.3862	2.6039	3.6012	3.9573	4.4887
C4	1.3623	1.8774	1.2235		1.4758	2.1577	2.4845	2.7386	3.4636
C5	2.3742	3.1855	2.3862	1.4758		1.0804	1.3405	2.1136	2.1066
H6	3.3253	4.0213	2.6039	2.1577	1.0804		2.1212	3.0825	2.4631
C7	2.7666	3.7262	3.6012	2.4845	1.3405	2.1212		1.0794	1.0800
H8	2.4580	3.4129	3.9573	2.7386	2.1136	3.0825	1.0794		1.8514
H9	3.8466	4.8050	4.4887	3.4636	2.1066	2.4631	1.0800	1.8514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C4	O3	122.518	O1	C4	C5	113.493
H2	O1	C4	105.901	O3	C4	C5	123.989
C4	C5	H6	114.263	C4	C5	C7	123.735
C5	C7	H8	121.340	C5	C7	H9	120.614
H6	C5	C7	122.003	H8	C7	H9	118.046

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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