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	hartrees
Energy at 0K	-57.670579
Energy at 298.15K
HF Energy	-56.847985
Nuclear repulsion energy	128.826188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3213	3050	28.68
2	A	3204	3042	20.53
3	A	3192	3030	7.25
4	A	3124	2966	17.73
5	A	3119	2961	19.91
6	A	3111	2954	51.12
7	A	1837	1744	344.56
8	A	1554	1476	0.20
9	A	1528	1450	7.74
10	A	1499	1423	9.30
11	A	1414	1343	17.91
12	A	1367	1298	1.84
13	A	1331	1264	19.93
14	A	1274	1209	7.66
15	A	1243	1180	25.46
16	A	1209	1148	1.86
17	A	1189	1128	213.53
18	A	1109	1053	15.61
19	A	1083	1028	63.01
20	A	1022	970	31.95
21	A	957	909	5.16
22	A	905	859	9.89
23	A	883	838	19.78
24	A	812	771	8.57
25	A	668	635	3.48
26	A	630	598	4.00
27	A	528	501	2.90
28	A	481	457	3.12
29	A	216	206	3.43
30	A	147	140	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.889	-0.000	0.006
C2	-0.038	1.216	0.185
C3	-1.413	0.670	-0.246
C4	-1.279	-0.821	0.145
O5	0.128	-1.152	-0.053
O6	2.111	-0.020	-0.075
H7	0.342	2.060	-0.409
H8	-0.021	1.499	1.253
H9	-1.539	0.766	-1.337
H10	-2.264	1.155	0.260
H11	-1.860	-1.507	-0.488
H12	-1.526	-0.991	1.209

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5397	2.4102	2.3217	1.3810	1.2250	2.1721	2.1515	2.8785	3.3674	3.1739	2.8741
C2	1.5397		1.5404	2.3852	2.3856	2.4930	1.1001	1.1046	2.1847	2.2280	3.3455	2.8523
C3	2.4102	1.5404		1.5470	2.3941	3.5947	2.2442	2.2059	1.1030	1.1025	2.2365	2.2110
C4	2.3217	2.3852	1.5470		1.4593	3.4897	3.3515	2.8611	2.1866	2.2109	1.1006	1.1052
O5	1.3810	2.3856	2.3941	1.4593		2.2825	3.2387	2.9584	2.8471	3.3383	2.0668	2.0871
O6	1.2250	2.4930	3.5947	3.4897	2.2825		2.7518	2.9355	3.9413	4.5425	4.2607	3.9773
H7	2.1721	1.1001	2.2442	3.3515	3.2387	2.7518		1.7917	2.4645	2.8383	4.1933	3.9268
H8	2.1515	1.1046	2.2059	2.8611	2.9584	2.9355	1.7917		3.0899	2.4763	3.9304	2.9096
H9	2.8785	2.1847	1.1030	2.1866	2.8471	3.9413	2.4645	3.0899		1.7965	2.4477	3.0933
H10	3.3674	2.2280	1.1025	2.2109	3.3383	4.5425	2.8383	2.4763	1.7965		2.7951	2.4602
H11	3.1739	3.3455	2.2365	1.1006	2.0668	4.2607	4.1933	3.9304	2.4477	2.7951		1.8048
H12	2.8741	2.8523	2.2110	1.1052	2.0871	3.9773	3.9268	2.9096	3.0933	2.4602	1.8048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.985	C1	C2	H7	109.618
C1	C2	H8	107.775	C1	O5	C4	109.622
C2	C1	O5	109.413	C2	C1	O6	128.407
C2	C3	C4	101.167	C2	C3	H9	110.383
C2	C3	H10	113.894	C3	C2	H7	115.395
C3	C2	H8	111.973	C3	C4	O5	105.534
C3	C4	H11	114.227	C3	C4	H12	111.875
C4	C3	H9	110.075	C4	C3	H10	112.025
O5	C1	O6	122.180	O5	C4	H11	106.849
O5	C4	H12	108.162	H7	C2	H8	108.724
H9	C3	H10	109.090	H11	C4	H12	109.814

All results from a given calculation for C₄H₆O₂ (γ–Butyrolactone)

using model chemistry: MP2/CEP-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 C4H6O2 (γ–Butyrolactone)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₄H₆O₂ (γ–Butyrolactone)