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	hartrees
Energy at 0K	-266.404311
Energy at 298.15K	-266.409827
HF Energy	-265.639175
Nuclear repulsion energy	171.835547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	2967	1.23
2	A'	3154	2959	28.27
3	A'	2016	1891	460.02
4	A'	1588	1490	1.62
5	A'	1521	1427	13.37
6	A'	1404	1318	37.18
7	A'	1277	1199	13.13
8	A'	1180	1107	174.97
9	A'	1057	992	7.39
10	A'	1017	954	88.75
11	A'	935	877	5.38
12	A'	779	731	0.89
13	A'	512	480	5.03
14	A"	3227	3027	12.15
15	A"	3213	3014	7.46
16	A"	1238	1161	0.15
17	A"	1196	1122	0.70
18	A"	1100	1032	5.40
19	A"	829	778	2.57
20	A"	532	499	5.04
21	A"	179	168	0.01

Atom	x (Å)	y (Å)	z (Å)
O1	-1.033	-0.268	0.000
C2	0.000	0.623	0.000
O3	-0.055	1.812	0.000
C4	1.087	-0.453	0.000
H5	1.713	-0.460	0.894
H6	1.713	-0.460	-0.894
C7	-0.122	-1.404	0.000
H8	-0.256	-2.012	-0.897
H9	-0.256	-2.012	0.897

	O1	C2	O3	C4	H5	H6	C7	H8	H9
O1		1.3643	2.2985	2.1275	2.8942	2.8942	1.4565	2.1095	2.1095
C2	1.3643		1.1900	1.5295	2.2153	2.2153	2.0314	2.7953	2.7953
O3	2.2985	1.1900		2.5365	3.0145	3.0145	3.2171	3.9328	3.9328
C4	2.1275	1.5295	2.5365		1.0916	1.0916	1.5380	2.2441	2.2441
H5	2.8942	2.2153	3.0145	1.0916		1.7879	2.2490	3.0808	2.5066
H6	2.8942	2.2153	3.0145	1.0916	1.7879		2.2490	2.5066	3.0808
C7	1.4565	2.0314	3.2171	1.5380	2.2490	2.2490		1.0917	1.0917
H8	2.1095	2.7953	3.9328	2.2441	3.0808	2.5066	1.0917		1.7945
H9	2.1095	2.7953	3.9328	2.2441	2.5066	3.0808	1.0917	1.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O3	128.152	O1	C2	C4	94.477
O1	C7	C4	90.507	O1	C7	H8	110.946
O1	C7	H9	110.946	C2	O1	C7	92.075
C2	C4	H5	114.347	C2	C4	H6	114.347
C2	C4	C7	82.940	O3	C2	C4	137.371
C4	C7	H8	116.126	C4	C7	H9	116.126
H5	C4	H6	109.948	H5	C4	C7	116.549
H6	C4	C7	116.549	H8	C7	H9	110.546

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

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

States and conformations

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