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	hartrees
Energy at 0K	-266.443080
Energy at 298.15K	-266.448518
HF Energy	-265.650325
Nuclear repulsion energy	171.049367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	2990	7.84
2	A'	3179	2986	23.63
3	A'	1893	1778	456.08
4	A'	1574	1478	2.73
5	A'	1504	1413	12.33
6	A'	1371	1288	19.21
7	A'	1260	1183	13.34
8	A'	1122	1054	176.86
9	A'	1044	980	0.54
10	A'	957	899	109.33
11	A'	913	858	7.10
12	A'	746	701	2.56
13	A'	494	464	4.01
14	A"	3265	3066	10.60
15	A"	3251	3054	2.25
16	A"	1227	1152	0.19
17	A"	1172	1101	1.01
18	A"	1078	1012	2.36
19	A"	821	771	1.79
20	A"	514	483	4.18
21	A"	166	156	0.09

Atom	x (Å)	y (Å)	z (Å)
O1	-1.044	-0.285	0.000
C2	0.000	0.624	0.000
O3	-0.067	1.825	0.000
C4	1.084	-0.444	0.000
H5	1.705	-0.437	0.891
H6	1.705	-0.437	-0.891
C7	-0.095	-1.416	0.000
H8	-0.229	-2.013	-0.896
H9	-0.229	-2.013	0.896

	O1	C2	O3	C4	H5	H6	C7	H8	H9
O1		1.3844	2.3260	2.1345	2.8944	2.8944	1.4763	2.1102	2.1102
C2	1.3844		1.2036	1.5220	2.1972	2.1972	2.0418	2.7945	2.7945
O3	2.3260	1.2036		2.5450	3.0091	3.0091	3.2414	3.9452	3.9452
C4	2.1345	1.5220	2.5450		1.0864	1.0864	1.5279	2.2340	2.2340
H5	2.8944	2.1972	3.0091	1.0864		1.7830	2.2346	3.0697	2.4954
H6	2.8944	2.1972	3.0091	1.0864	1.7830		2.2346	2.4954	3.0697
C7	1.4763	2.0418	3.2414	1.5279	2.2346	2.2346		1.0855	1.0855
H8	2.1102	2.7945	3.9452	2.2340	3.0697	2.4954	1.0855		1.7928
H9	2.1102	2.7945	3.9452	2.2340	2.4954	3.0697	1.0855	1.7928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O3	127.849	O1	C2	C4	94.396
O1	C7	C4	90.535	O1	C7	H8	109.981
O1	C7	H9	109.981	C2	O1	C7	91.020
C2	C4	H5	113.735	C2	C4	H6	113.735
C2	C4	C7	84.050	O3	C2	C4	137.756
C4	C7	H8	116.454	C4	C7	H9	116.454
H5	C4	H6	110.284	H5	C4	C7	116.444
H6	C4	C7	116.444	H8	C7	H9	111.334

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

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

States and conformations

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