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	hartrees
Energy at 0K	-266.373753
Energy at 298.15K	-266.379202
HF Energy	-265.636790
Nuclear repulsion energy	170.980462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	2981	1.71
2	A'	3154	2974	27.98
3	A'	1926	1816	371.82
4	A'	1585	1494	2.51
5	A'	1518	1431	11.91
6	A'	1380	1301	20.07
7	A'	1266	1193	14.89
8	A'	1136	1071	169.10
9	A'	1050	990	0.40
10	A'	970	915	96.07
11	A'	918	866	5.88
12	A'	751	708	2.02
13	A'	497	468	4.10
14	A"	3234	3049	12.03
15	A"	3220	3037	5.24
16	A"	1237	1166	0.18
17	A"	1182	1115	0.36
18	A"	1087	1025	3.92
19	A"	829	782	2.34
20	A"	518	489	3.45
21	A"	172	162	0.02

Atom	x (Å)	y (Å)	z (Å)
O1	-1.043	-0.282	0.000
C2	0.000	0.625	0.000
O3	-0.066	1.824	0.000
C4	1.087	-0.448	0.000
H5	1.714	-0.448	0.894
H6	1.714	-0.448	-0.894
C7	-0.102	-1.411	0.000
H8	-0.234	-2.016	-0.898
H9	-0.234	-2.016	0.898

	O1	C2	O3	C4	H5	H6	C7	H8	H9
O1		1.3822	2.3218	2.1367	2.9032	2.9032	1.4699	2.1137	2.1137
C2	1.3822		1.2011	1.5274	2.2109	2.2109	2.0388	2.7996	2.7996
O3	2.3218	1.2011		2.5481	3.0217	3.0217	3.2357	3.9477	3.9477
C4	2.1367	1.5274	2.5481		1.0916	1.0916	1.5305	2.2392	2.2392
H5	2.9032	2.2109	3.0217	1.0916		1.7870	2.2418	3.0771	2.5017
H6	2.9032	2.2109	3.0217	1.0916	1.7870		2.2418	2.5017	3.0771
C7	1.4699	2.0388	3.2357	1.5305	2.2418	2.2418		1.0910	1.0910
H8	2.1137	2.7996	3.9477	2.2392	3.0771	2.5017	1.0910		1.7963
H9	2.1137	2.7996	3.9477	2.2392	2.5017	3.0771	1.0910	1.7963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O3	127.846	O1	C2	C4	94.373
O1	C7	C4	90.793	O1	C7	H8	110.374
O1	C7	H9	110.374	C2	O1	C7	91.203
C2	C4	H5	114.135	C2	C4	H6	114.135
C2	C4	C7	83.631	O3	C2	C4	137.781
C4	C7	H8	116.330	C4	C7	H9	116.330
H5	C4	H6	109.877	H5	C4	C7	116.511
H6	C4	C7	116.511	H8	C7	H9	110.822

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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