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	hartrees
Energy at 0K	-266.049978
Energy at 298.15K	-266.055242
HF Energy	-265.536804
Nuclear repulsion energy	165.484960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3118	3010	35.54
2	A'	3090	2983	9.45
3	A'	1740	1679	358.76
4	A'	1544	1490	0.93
5	A'	1505	1453	16.28
6	A'	1314	1268	3.00
7	A'	1269	1225	19.67
8	A'	992	958	87.89
9	A'	979	945	73.03
10	A'	846	817	98.50
11	A'	828	799	39.45
12	A'	693	669	13.14
13	A'	457	441	6.11
14	A"	3213	3101	24.48
15	A"	3171	3061	2.76
16	A"	1221	1179	0.41
17	A"	1100	1062	0.00
18	A"	1069	1032	2.81
19	A"	828	799	4.39
20	A"	493	476	5.00
21	A"	168	162	0.60

Atom	x (Å)	y (Å)	z (Å)
O1	-1.089	-0.315	0.000
C2	0.000	0.656	0.000
O3	-0.087	1.887	0.000
C4	1.111	-0.439	0.000
H5	1.740	-0.425	0.903
H6	1.740	-0.425	-0.903
C7	-0.062	-1.479	0.000
H8	-0.185	-2.076	-0.913
H9	-0.185	-2.076	0.913

	O1	C2	O3	C4	H5	H6	C7	H8	H9
O1		1.4591	2.4195	2.2033	2.9717	2.9717	1.5524	2.1797	2.1797
C2	1.4591		1.2339	1.5604	2.2388	2.2388	2.1366	2.8866	2.8866
O3	2.4195	1.2339		2.6168	3.0819	3.0819	3.3666	4.0680	4.0680
C4	2.2033	1.5604	2.6168		1.1005	1.1005	1.5676	2.2781	2.2781
H5	2.9717	2.2388	3.0819	1.1005		1.8054	2.2750	3.1189	2.5362
H6	2.9717	2.2388	3.0819	1.1005	1.8054		2.2750	2.5362	3.1189
C7	1.5524	2.1366	3.3666	1.5676	2.2750	2.2750		1.0972	1.0972
H8	2.1797	2.8866	4.0680	2.2781	3.1189	2.5362	1.0972		1.8252
H9	2.1797	2.8866	4.0680	2.2781	2.5362	3.1189	1.0972	1.8252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O3	127.706	O1	C2	C4	93.658
O1	C7	C4	89.849	O1	C7	H8	109.503
O1	C7	H9	109.503	C2	O1	C7	90.328
C2	C4	H5	113.440	C2	C4	H6	113.440
C2	C4	C7	86.165	O3	C2	C4	138.636
C4	C7	H8	116.384	C4	C7	H9	116.384
H5	C4	H6	110.219	H5	C4	C7	115.896
H6	C4	C7	115.896	H8	C7	H9	112.562

All results from a given calculation for C₃H₄O₂ (β–Propiolactone)

using model chemistry: MP2/SDD

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 (β–Propiolactone)

using model chemistry: MP2/SDD

States and conformations

All results from a given calculation for C₃H₄O₂ (β–Propiolactone)