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	hartrees
Energy at 0K	-266.517267
Energy at 298.15K	-266.522733
HF Energy	-265.705177
Nuclear repulsion energy	171.532977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	2984	3.25
2	A'	3133	2977	31.65
3	A'	1924	1828	408.23
4	A'	1550	1473	1.62
5	A'	1477	1403	13.84
6	A'	1375	1306	18.23
7	A'	1234	1173	18.75
8	A'	1120	1064	166.07
9	A'	1043	991	1.35
10	A'	978	929	97.76
11	A'	912	867	4.46
12	A'	756	719	2.17
13	A'	501	476	3.73
14	A"	3217	3057	12.91
15	A"	3201	3042	6.76
16	A"	1220	1159	0.07
17	A"	1187	1128	1.18
18	A"	1067	1014	2.56
19	A"	813	772	1.71
20	A"	518	493	3.08
21	A"	169	161	0.02

Atom	x (Å)	y (Å)	z (Å)
O1	-1.041	-0.279	0.000
C2	0.000	0.625	0.000
O3	-0.064	1.815	0.000
C4	1.089	-0.449	0.000
H5	1.710	-0.445	0.896
H6	1.710	-0.445	-0.896
C7	-0.107	-1.406	0.000
H8	-0.236	-2.007	-0.900
H9	-0.236	-2.007	0.900

	O1	C2	O3	C4	H5	H6	C7	H8	H9
O1		1.3783	2.3102	2.1360	2.8975	2.8975	1.4639	2.1084	2.1084
C2	1.3783		1.1916	1.5290	2.2071	2.2071	2.0341	2.7918	2.7918
O3	2.3102	1.1916		2.5400	3.0092	3.0092	3.2214	3.9304	3.9304
C4	2.1360	1.5290	2.5400		1.0905	1.0905	1.5319	2.2346	2.2346
H5	2.8975	2.2071	3.0092	1.0905		1.7926	2.2424	3.0746	2.4953
H6	2.8975	2.2071	3.0092	1.0905	1.7926		2.2424	2.4953	3.0746
C7	1.4639	2.0341	3.2214	1.5319	2.2424	2.2424		1.0898	1.0898
H8	2.1084	2.7918	3.9304	2.2346	3.0746	2.4953	1.0898		1.7999
H9	2.1084	2.7918	3.9304	2.2346	2.4953	3.0746	1.0898	1.7999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O3	127.902	O1	C2	C4	94.426
O1	C7	C4	90.932	O1	C7	H8	110.446
O1	C7	H9	110.446	C2	O1	C7	91.347
C2	C4	H5	113.773	C2	C4	H6	113.773
C2	C4	C7	83.295	O3	C2	C4	137.672
C4	C7	H8	115.914	C4	C7	H9	115.914
H5	C4	H6	110.555	H5	C4	C7	116.535
H6	C4	C7	116.535	H8	C7	H9	111.337

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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