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	hartrees
Energy at 0K	-305.943234
Energy at 298.15K
HF Energy	-304.826208
Nuclear repulsion energy	241.405304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3195	3040	5.91
2	A	3187	3032	15.51
3	A	3177	3023	9.77
4	A	3116	2964	14.81
5	A	3104	2953	4.33
6	A	3094	2944	35.23
7	A	1846	1756	348.34
8	A	1542	1467	1.02
9	A	1507	1434	6.34
10	A	1474	1402	8.49
11	A	1407	1339	15.82
12	A	1350	1285	2.02
13	A	1313	1249	9.78
14	A	1278	1216	8.77
15	A	1227	1167	21.42
16	A	1208	1149	2.78
17	A	1181	1123	204.17
18	A	1103	1049	17.42
19	A	1083	1031	69.28
20	A	1019	970	19.98
21	A	959	912	3.82
22	A	905	861	12.93
23	A	885	842	20.00
24	A	816	776	5.72
25	A	683	650	3.50
26	A	637	606	3.07
27	A	529	503	2.60
28	A	492	468	2.91
29	A	226	215	2.44
30	A	152	144	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.881	-0.001	0.006
C2	-0.032	1.196	0.186
C3	-1.390	0.663	-0.246
C4	-1.265	-0.806	0.143
O5	0.123	-1.134	-0.051
O6	2.079	-0.025	-0.077
H7	0.342	2.042	-0.382
H8	-0.021	1.461	1.244
H9	-1.504	0.752	-1.325
H10	-2.233	1.149	0.237
H11	-1.849	-1.480	-0.474
H12	-1.515	-0.967	1.192

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5167	2.3795	2.2962	1.3650	1.2004	2.1477	2.1181	2.8335	3.3278	3.1423	2.8430
C2	1.5167		1.5212	2.3515	2.3477	2.4526	1.0848	1.0910	2.1558	2.2020	3.3017	2.8092
C3	2.3795	1.5212		1.5247	2.3573	3.5400	2.2178	2.1753	1.0884	1.0864	2.2040	2.1777
C4	2.2962	2.3515	1.5247		1.4390	3.4405	3.3115	2.8106	2.1537	2.1831	1.0851	1.0905
O5	1.3650	2.3477	2.3573	1.4390		2.2489	3.2008	2.9043	2.7980	3.2931	2.0463	2.0625
O6	1.2004	2.4526	3.5400	3.4405	2.2489		2.7161	2.8918	3.8727	4.4795	4.2075	3.9259
H7	2.1477	1.0848	2.2178	3.3115	3.2008	2.7161		1.7639	2.4422	2.7951	4.1492	3.8702
H8	2.1181	1.0910	2.1753	2.8106	2.9043	2.8918	1.7639		3.0503	2.4507	3.8664	2.8518
H9	2.8335	2.1558	1.0884	2.1537	2.7980	3.8727	2.4422	3.0503		1.7685	2.4135	3.0480
H10	3.3278	2.2020	1.0864	2.1831	3.2931	4.4795	2.7951	2.4507	1.7685		2.7504	2.4300
H11	3.1423	3.3017	2.2040	1.0851	2.0463	4.2075	4.1492	3.8664	2.4135	2.7504		1.7754
H12	2.8430	2.8092	2.1777	1.0905	2.0625	3.9259	3.8702	2.8518	3.0480	2.4300	1.7754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.126	C1	C2	H7	110.187
C1	C2	H8	107.507	C1	O5	C4	109.919
C2	C1	O5	109.006	C2	C1	O6	128.647
C2	C3	C4	101.071	C2	C3	H9	110.298
C2	C3	H10	114.195	C3	C2	H7	115.640
C3	C2	H8	111.707	C3	C4	O5	105.347
C3	C4	H11	114.178	C3	C4	H12	111.680
C4	C3	H9	109.883	C4	C3	H10	112.373
O5	C1	O6	122.347	O5	C4	H11	107.497
O5	C4	H12	108.465	H7	C2	H8	108.324
H9	C3	H10	108.818	H11	C4	H12	109.378

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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