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	hartrees
Energy at 0K	-266.453428
Energy at 298.15K	-266.458938
HF Energy	-265.652733
Nuclear repulsion energy	171.845218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	2977	3.66
2	A'	3189	2971	29.14
3	A'	1987	1851	538.81
4	A'	1587	1479	2.44
5	A'	1517	1413	12.24
6	A'	1402	1306	36.36
7	A'	1276	1188	10.93
8	A'	1171	1091	180.47
9	A'	1050	978	6.30
10	A'	1009	940	102.16
11	A'	930	867	6.43
12	A'	775	722	0.76
13	A'	509	474	4.99
14	A"	3267	3044	12.41
15	A"	3254	3031	4.68
16	A"	1232	1148	0.15
17	A"	1190	1109	1.57
18	A"	1093	1018	3.76
19	A"	822	766	1.88
20	A"	528	491	6.15
21	A"	173	161	0.03

Atom	x (Å)	y (Å)	z (Å)
O1	-1.032	-0.269	0.000
C2	0.000	0.624	0.000
O3	-0.054	1.814	0.000
C4	1.086	-0.453	0.000
H5	1.707	-0.458	0.890
H6	1.707	-0.458	-0.890
C7	-0.121	-1.407	0.000
H8	-0.256	-2.009	-0.893
H9	-0.256	-2.009	0.893

	O1	C2	O3	C4	H5	H6	C7	H8	H9
O1		1.3648	2.3011	2.1258	2.8862	2.8862	1.4575	2.1041	2.1041
C2	1.3648		1.1912	1.5293	2.2082	2.2082	2.0343	2.7919	2.7919
O3	2.3011	1.1912		2.5375	3.0091	3.0091	3.2213	3.9308	3.9308
C4	2.1258	1.5293	2.5375		1.0855	1.0855	1.5380	2.2399	2.2399
H5	2.8862	2.2082	3.0091	1.0855		1.7801	2.2437	3.0720	2.5015
H6	2.8862	2.2082	3.0091	1.0855	1.7801		2.2437	2.5015	3.0720
C7	1.4575	2.0343	3.2213	1.5380	2.2437	2.2437		1.0855	1.0855
H8	2.1041	2.7919	3.9308	2.2399	3.0720	2.5015	1.0855		1.7863
H9	2.1041	2.7919	3.9308	2.2399	2.5015	3.0720	1.0855	1.7863

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O3	128.260	O1	C2	C4	94.361
O1	C7	C4	90.372	O1	C7	H8	110.820
O1	C7	H9	110.820	C2	O1	C7	92.179
C2	C4	H5	114.165	C2	C4	H6	114.165
C2	C4	C7	83.088	O3	C2	C4	137.379
C4	C7	H8	116.178	C4	C7	H9	116.178
H5	C4	H6	110.169	H5	C4	C7	116.512
H6	C4	C7	116.512	H8	C7	H9	110.730

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

using model chemistry: MP3=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 (β–Propiolactone)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

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