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	hartrees
Energy at 0K	-305.791713
Energy at 298.15K
HF Energy	-304.734739
Nuclear repulsion energy	241.306606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3216	3037	4.93
2	A	3206	3028	9.77
3	A	3193	3016	11.39
4	A	3138	2963	11.50
5	A	3125	2952	3.29
6	A	3108	2936	33.58
7	A	1879	1775	306.80
8	A	1551	1465	0.68
9	A	1518	1434	5.33
10	A	1486	1403	7.68
11	A	1416	1337	16.73
12	A	1357	1282	2.76
13	A	1320	1247	10.56
14	A	1281	1210	9.06
15	A	1232	1163	25.75
16	A	1213	1146	2.38
17	A	1191	1125	188.62
18	A	1109	1048	23.35
19	A	1094	1033	53.91
20	A	1025	968	17.45
21	A	965	911	3.22
22	A	911	860	12.11
23	A	891	842	13.37
24	A	820	774	4.95
25	A	686	648	4.00
26	A	639	604	3.36
27	A	530	501	2.27
28	A	492	465	3.32
29	A	229	217	2.41
30	A	153	145	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.881	-0.001	0.006
C2	-0.035	1.198	0.192
C3	-1.390	0.662	-0.253
C4	-1.260	-0.808	0.145
O5	0.124	-1.134	-0.048
O6	2.078	-0.023	-0.081
H7	0.343	2.052	-0.366
H8	-0.033	1.456	1.255
H9	-1.493	0.745	-1.337
H10	-2.243	1.148	0.217
H11	-1.848	-1.490	-0.468
H12	-1.515	-0.964	1.198

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5207	2.3801	2.2927	1.3639	1.1996	2.1547	2.1259	2.8281	3.3357	3.1447	2.8442
C2	1.5207		1.5235	2.3510	2.3496	2.4559	1.0879	1.0939	2.1606	2.2085	3.3084	2.8061
C3	2.3801	1.5235		1.5283	2.3571	3.5387	2.2247	2.1789	1.0913	1.0892	2.2102	2.1825
C4	2.2927	2.3510	1.5283		1.4346	3.4360	3.3184	2.8044	2.1590	2.1905	1.0890	1.0942
O5	1.3639	2.3496	2.3571	1.4346		2.2475	3.2091	2.9037	2.7934	3.2983	2.0466	2.0656
O6	1.1996	2.4559	3.5387	3.4360	2.2475		2.7199	2.9035	3.8623	4.4867	4.2079	3.9276
H7	2.1547	1.0879	2.2247	3.3184	3.2091	2.7199		1.7673	2.4545	2.8010	4.1660	3.8719
H8	2.1259	1.0939	2.1789	2.8044	2.9037	2.9035	1.7673		3.0587	2.4609	3.8654	2.8382
H9	2.8281	2.1606	1.0913	2.1590	2.7934	3.8623	2.4545	3.0587		1.7719	2.4237	3.0565
H10	3.3357	2.2085	1.0892	2.1905	3.2983	4.4867	2.8010	2.4609	1.7719		2.7542	2.4395
H11	3.1447	3.3084	2.2102	1.0890	2.0466	4.2079	4.1660	3.8654	2.4237	2.7542		1.7781
H12	2.8442	2.8061	2.1825	1.0942	2.0656	3.9276	3.8719	2.8382	3.0565	2.4395	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.858	C1	C2	H7	110.279
C1	C2	H8	107.677	C1	O5	C4	109.993
C2	C1	O5	108.959	C2	C1	O6	128.674
C2	C3	C4	100.768	C2	C3	H9	110.348
C2	C3	H10	114.383	C3	C2	H7	115.835
C3	C2	H8	111.656	C3	C4	O5	105.372
C3	C4	H11	114.175	C3	C4	H12	111.581
C4	C3	H9	109.884	C4	C3	H10	112.544
O5	C1	O6	122.366	O5	C4	H11	107.601
O5	C4	H12	108.796	H7	C2	H8	108.195
H9	C3	H10	108.707	H11	C4	H12	109.068

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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