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	hartrees
Energy at 0K	-266.425835
Energy at 298.15K	-266.431296
HF Energy	-265.643936
Nuclear repulsion energy	171.293048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	2981	1.55
2	A'	3178	2969	31.54
3	A'	1934	1807	371.73
4	A'	1585	1481	3.48
5	A'	1515	1415	10.28
6	A'	1384	1293	21.73
7	A'	1267	1184	12.98
8	A'	1135	1061	166.20
9	A'	1051	982	0.57
10	A'	974	910	94.98
11	A'	919	859	6.03
12	A'	753	703	2.29
13	A'	498	465	4.01
14	A"	3267	3052	8.63
15	A"	3250	3037	10.38
16	A"	1239	1158	0.15
17	A"	1184	1107	0.48
18	A"	1084	1012	3.74
19	A"	825	771	1.90
20	A"	518	484	3.73
21	A"	170	159	0.02

Atom	x (Å)	y (Å)	z (Å)
O1	-1.042	-0.285	0.000
C2	0.000	0.624	0.000
O3	-0.067	1.823	0.000
C4	1.084	-0.445	0.000
H5	1.706	-0.442	0.890
H6	1.706	-0.442	-0.890
C7	-0.098	-1.411	0.000
H8	-0.227	-2.014	-0.894
H9	-0.227	-2.014	0.894

	O1	C2	O3	C4	H5	H6	C7	H8	H9
O1		1.3829	2.3224	2.1324	2.8933	2.8933	1.4693	2.1101	2.1101
C2	1.3829		1.2007	1.5225	2.1999	2.1999	2.0372	2.7942	2.7942
O3	2.3224	1.2007		2.5433	3.0110	3.0110	3.2338	3.9425	3.9425
C4	2.1324	1.5225	2.5433		1.0860	1.0860	1.5267	2.2313	2.2313
H5	2.8933	2.1999	3.0110	1.0860		1.7802	2.2332	3.0644	2.4914
H6	2.8933	2.1999	3.0110	1.0860	1.7802		2.2332	2.4914	3.0644
C7	1.4693	2.0372	3.2338	1.5267	2.2332	2.2332		1.0860	1.0860
H8	2.1101	2.7942	3.9425	2.2313	3.0644	2.4914	1.0860		1.7883
H9	2.1101	2.7942	3.9425	2.2313	2.4914	3.0644	1.0860	1.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O3	127.886	O1	C2	C4	94.312
O1	C7	C4	90.733	O1	C7	H8	110.440
O1	C7	H9	110.440	C2	O1	C7	91.113
C2	C4	H5	113.949	C2	C4	H6	113.949
C2	C4	C7	83.841	O3	C2	C4	137.802
C4	C7	H8	116.285	C4	C7	H9	116.285
H5	C4	H6	110.096	H5	C4	C7	116.454
H6	C4	C7	116.454	H8	C7	H9	110.845

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

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

States and conformations

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