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	hartrees
Energy at 0K	-266.384690
Energy at 298.15K	-266.390201
HF Energy	-265.638945
Nuclear repulsion energy	171.680907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	2968	1.26
2	A'	3153	2960	28.34
3	A'	2011	1887	458.50
4	A'	1588	1490	1.69
5	A'	1521	1427	13.11
6	A'	1402	1316	37.55
7	A'	1276	1197	12.95
8	A'	1178	1106	174.00
9	A'	1056	991	7.04
10	A'	1014	952	89.40
11	A'	933	876	5.45
12	A'	778	730	0.88
13	A'	511	479	5.04
14	A"	3226	3028	12.36
15	A"	3212	3015	7.43
16	A"	1237	1161	0.17
17	A"	1194	1120	0.69
18	A"	1099	1031	5.31
19	A"	828	777	2.51
20	A"	530	497	5.11
21	A"	178	167	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	-1.035	-0.275	0.000
C2	0.000	0.624	0.000
O3	-0.063	1.814	0.000
C4	1.086	-0.447	0.000
H5	1.713	-0.447	0.894
H6	1.713	-0.447	-0.894
C7	-0.111	-1.409	0.000
H8	-0.244	-2.014	-0.898
H9	-0.244	-2.014	0.898

	O1	C2	O3	C4	H5	H6	C7	H8	H9
O1		1.3711	2.3038	2.1286	2.8951	2.8951	1.4630	2.1112	2.1112
C2	1.3711		1.1916	1.5250	2.2089	2.2089	2.0357	2.7974	2.7974
O3	2.3038	1.1916		2.5358	3.0106	3.0106	3.2229	3.9360	3.9360
C4	2.1286	1.5250	2.5358		1.0916	1.0916	1.5360	2.2439	2.2439
H5	2.8951	2.2089	3.0106	1.0916		1.7878	2.2473	3.0820	2.5075
H6	2.8951	2.2089	3.0106	1.0916	1.7878		2.2473	2.5075	3.0820
C7	1.4630	2.0357	3.2229	1.5360	2.2473	2.2473		1.0912	1.0912
H8	2.1112	2.7974	3.9360	2.2439	3.0820	2.5075	1.0912		1.7960
H9	2.1112	2.7974	3.9360	2.2439	2.5075	3.0820	1.0912	1.7960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O3	127.915	O1	C2	C4	94.465
O1	C7	C4	90.399	O1	C7	H8	110.647
O1	C7	H9	110.647	C2	O1	C7	91.767
C2	C4	H5	114.145	C2	C4	H6	114.145
C2	C4	C7	83.369	O3	C2	C4	137.621
C4	C7	H8	116.296	C4	C7	H9	116.296
H5	C4	H6	109.946	H5	C4	C7	116.562
H6	C4	C7	116.562	H8	C7	H9	110.759

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

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 (β–Propiolactone)

using model chemistry: MP3/6-31G*

States and conformations

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