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	hartrees
Energy at 0K	-305.656925
Energy at 298.15K
HF Energy	-304.724816
Nuclear repulsion energy	240.512501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3201	3034	7.56
2	A	3186	3020	23.84
3	A	3178	3013	16.72
4	A	3118	2955	17.24
5	A	3111	2949	6.74
6	A	3092	2930	44.28
7	A	1962	1860	394.70
8	A	1535	1455	0.84
9	A	1501	1423	7.96
10	A	1468	1391	9.25
11	A	1425	1351	34.96
12	A	1361	1290	8.55
13	A	1327	1258	28.34
14	A	1277	1210	14.80
15	A	1237	1173	70.25
16	A	1216	1153	136.21
17	A	1210	1147	3.50
18	A	1125	1067	77.38
19	A	1105	1047	5.51
20	A	1024	970	10.58
21	A	961	911	3.11
22	A	912	865	14.30
23	A	895	848	10.41
24	A	828	785	4.55
25	A	698	662	5.62
26	A	645	611	3.41
27	A	537	509	3.17
28	A	502	476	4.54
29	A	228	216	2.54
30	A	153	145	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.885	-0.003	0.006
C2	-0.031	1.208	0.188
C3	-1.398	0.664	-0.247
C4	-1.258	-0.817	0.143
O5	0.127	-1.135	-0.049
O6	2.077	-0.025	-0.080
H7	0.348	2.064	-0.386
H8	-0.022	1.478	1.259
H9	-1.515	0.756	-1.340
H10	-2.256	1.151	0.239
H11	-1.853	-1.501	-0.479
H12	-1.521	-0.981	1.204

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5295	2.3920	2.2966	1.3629	1.1952	2.1720	2.1417	2.8540	3.3548	3.1582	2.8601
C2	1.5295		1.5336	2.3679	2.3599	2.4565	1.0984	1.1048	2.1769	2.2264	3.3316	2.8357
C3	2.3920	1.5336		1.5383	2.3672	3.5465	2.2418	2.1962	1.1031	1.1000	2.2247	2.1971
C4	2.2966	2.3679	1.5383		1.4346	3.4352	3.3407	2.8356	2.1768	2.2085	1.0993	1.1054
O5	1.3629	2.3599	2.3672	1.4346		2.2437	3.2245	2.9258	2.8173	3.3151	2.0593	2.0765
O6	1.1952	2.4565	3.5465	3.4352	2.2437		2.7293	2.9074	3.8856	4.5012	4.2170	3.9379
H7	2.1720	1.0984	2.2418	3.3407	3.2245	2.7293		1.7849	2.4679	2.8295	4.1906	3.9105
H8	2.1417	1.1048	2.1962	2.8356	2.9258	2.9074	1.7849		3.0830	2.4778	3.9048	2.8802
H9	2.8540	2.1769	1.1031	2.1768	2.8173	3.8856	2.4679	3.0830		1.7892	2.4387	3.0802
H10	3.3548	2.2264	1.1000	2.2085	3.3151	4.5012	2.8295	2.4778	1.7892		2.7767	2.4524
H11	3.1582	3.3316	2.2247	1.0993	2.0593	4.2170	4.1906	3.9048	2.4387	2.7767		1.7929
H12	2.8601	2.8357	2.1971	1.1054	2.0765	3.9379	3.9105	2.8802	3.0802	2.4524	1.7929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.689	C1	C2	H7	110.412
C1	C2	H8	107.692	C1	O5	C4	110.333
C2	C1	O5	109.222	C2	C1	O6	128.320
C2	C3	C4	100.859	C2	C3	H9	110.235
C2	C3	H10	114.425	C3	C2	H7	115.823
C3	C2	H8	111.662	C3	C4	O5	105.498
C3	C4	H11	113.982	C3	C4	H12	111.367
C4	C3	H9	109.904	C4	C3	H10	112.614
O5	C1	O6	122.458	O5	C4	H11	107.992
O5	C4	H12	108.990	H7	C2	H8	108.221
H9	C3	H10	108.609	H11	C4	H12	108.823

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

using model chemistry: MP3/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: MP3/cc-pVDZ

States and conformations

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