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	hartrees
Energy at 0K	-305.692766
Energy at 298.15K
HF Energy	-304.742335
Nuclear repulsion energy	239.253854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3053	13.09
2	A	3179	3049	13.29
3	A	3166	3036	10.61
4	A	3100	2973	17.36
5	A	3090	2963	7.25
6	A	3085	2959	37.17
7	A	1811	1736	355.48
8	A	1519	1456	0.52
9	A	1488	1427	6.08
10	A	1456	1396	7.43
11	A	1382	1325	18.10
12	A	1332	1277	3.47
13	A	1296	1243	13.16
14	A	1256	1205	6.24
15	A	1211	1161	22.14
16	A	1189	1140	5.71
17	A	1163	1115	181.49
18	A	1088	1044	12.67
19	A	1063	1019	70.90
20	A	1002	961	28.18
21	A	951	912	6.17
22	A	892	856	13.04
23	A	871	835	29.38
24	A	806	773	7.24
25	A	670	643	3.13
26	A	630	604	3.24
27	A	524	503	3.11
28	A	484	464	3.04
29	A	227	217	2.58
30	A	151	145	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.887	-0.000	0.006
C2	-0.031	1.205	0.186
C3	-1.400	0.669	-0.247
C4	-1.279	-0.810	0.145
O5	0.123	-1.145	-0.053
O6	2.097	-0.026	-0.076
H7	0.349	2.057	-0.392
H8	-0.017	1.476	1.255
H9	-1.517	0.759	-1.338
H10	-2.251	1.163	0.243
H11	-1.867	-1.494	-0.479
H12	-1.525	-0.974	1.208

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5258	2.3967	2.3170	1.3782	1.2130	2.1633	2.1349	2.8569	3.3553	3.1705	2.8661
C2	1.5258		1.5328	2.3705	2.3676	2.4726	1.0973	1.1032	2.1748	2.2215	3.3316	2.8333
C3	2.3967	1.5328		1.5350	2.3770	3.5698	2.2372	2.1956	1.1007	1.0991	2.2256	2.1988
C4	2.3170	2.3705	1.5350		1.4553	3.4732	3.3402	2.8368	2.1721	2.2007	1.0973	1.1026
O5	1.3782	2.3676	2.3770	1.4553		2.2697	3.2282	2.9330	2.8224	3.3241	2.0643	2.0820
O6	1.2130	2.4726	3.5698	3.4732	2.2697		2.7379	2.9156	3.9076	4.5193	4.2461	3.9586
H7	2.1633	1.0973	2.2372	3.3402	3.2282	2.7379		1.7848	2.4619	2.8220	4.1867	3.9065
H8	2.1349	1.1032	2.1956	2.8368	2.9330	2.9156	1.7848		3.0804	2.4728	3.9053	2.8776
H9	2.8569	2.1748	1.1007	2.1721	2.8224	3.9076	2.4619	3.0804		1.7893	2.4368	3.0798
H10	3.3553	2.2215	1.0991	2.2007	3.3241	4.5193	2.8220	2.4728	1.7893		2.7799	2.4545
H11	3.1705	3.3316	2.2256	1.0973	2.0643	4.2461	4.1867	3.9053	2.4368	2.7799		1.7977
H12	2.8661	2.8333	2.1988	1.1026	2.0820	3.9586	3.9065	2.8776	3.0798	2.4545	1.7977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.181	C1	C2	H7	110.046
C1	C2	H8	107.510	C1	O5	C4	109.683
C2	C1	O5	109.126	C2	C1	O6	128.698
C2	C3	C4	101.194	C2	C3	H9	110.269
C2	C3	H10	114.138	C3	C2	H7	115.570
C3	C2	H8	111.770	C3	C4	O5	105.260
C3	C4	H11	114.422	C3	C4	H12	111.902
C4	C3	H9	109.902	C4	C3	H10	112.278
O5	C1	O6	122.176	O5	C4	H11	107.099
O5	C4	H12	108.175	H7	C2	H8	108.409
H9	C3	H10	108.861	H11	C4	H12	109.607

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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