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	hartrees
Energy at 0K	-305.159078
Energy at 298.15K
HF Energy	-304.546433
Nuclear repulsion energy	235.265825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3187	3050	24.18
2	A	3167	3030	7.83
3	A	3150	3014	11.07
4	A	3100	2966	31.52
5	A	3094	2960	17.57
6	A	3087	2953	7.27
7	A	1727	1652	223.53
8	A	1587	1519	0.67
9	A	1568	1501	4.84
10	A	1549	1482	8.52
11	A	1406	1346	3.23
12	A	1395	1335	0.07
13	A	1358	1299	3.59
14	A	1278	1222	5.06
15	A	1250	1196	2.04
16	A	1196	1144	3.77
17	A	1145	1096	97.48
18	A	1123	1074	130.37
19	A	1054	1009	17.76
20	A	976	934	50.36
21	A	943	902	8.03
22	A	913	873	14.62
23	A	877	839	51.27
24	A	781	747	21.24
25	A	662	633	2.33
26	A	641	614	5.35
27	A	525	502	4.34
28	A	473	453	2.31
29	A	195	186	4.64
30	A	144	138	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.905	-0.002	0.004
C2	-0.010	1.220	0.170
C3	-1.413	0.695	-0.220
C4	-1.333	-0.814	0.128
O5	0.112	-1.176	-0.044
O6	2.142	-0.040	-0.069
H7	0.353	2.043	-0.456
H8	0.028	1.550	1.219
H9	-1.581	0.825	-1.298
H10	-2.227	1.197	0.317
H11	-1.899	-1.463	-0.545
H12	-1.608	-1.020	1.170

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5356	2.4307	2.3841	1.4170	1.2401	2.1675	2.1572	2.9256	3.3683	3.2092	2.9516
C2	1.5356		1.5481	2.4275	2.4086	2.5056	1.0955	1.1006	2.1860	2.2225	3.3588	2.9281
C3	2.4307	1.5481		1.5513	2.4202	3.6335	2.2337	2.2088	1.0983	1.0969	2.2361	2.2165
C4	2.3841	2.4275	1.5513		1.4998	3.5659	3.3686	2.9380	2.1873	2.2090	1.0928	1.0972
O5	1.4170	2.4086	2.4202	1.4998		2.3258	3.2537	3.0050	2.9059	3.3514	2.0928	2.1117
O6	1.2401	2.5056	3.6335	3.5659	2.3258		2.7735	2.9428	4.0151	4.5577	4.3107	4.0697
H7	2.1675	1.0955	2.2337	3.3686	3.2537	2.7735		1.7767	2.4351	2.8232	4.1679	3.9838
H8	2.1572	1.1006	2.2088	2.9380	3.0050	2.9428	1.7767		3.0740	2.4547	3.9879	3.0465
H9	2.9256	2.1860	1.0983	2.1873	2.9059	4.0151	2.4351	3.0740		1.7783	2.4302	3.0817
H10	3.3683	2.2225	1.0969	2.2090	3.3514	4.5577	2.8232	2.4547	1.7783		2.8150	2.4544
H11	3.2092	3.3588	2.2361	1.0928	2.0928	4.3107	4.1679	3.9879	2.4302	2.8150		1.7952
H12	2.9516	2.9281	2.2165	1.0972	2.1117	4.0697	3.9838	3.0465	3.0817	2.4544	1.7952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.043	C1	C2	H7	109.802
C1	C2	H8	108.707	C1	O5	C4	109.614
C2	C1	O5	109.253	C2	C1	O6	128.719
C2	C3	C4	103.111	C2	C3	H9	110.228
C2	C3	H10	113.234	C3	C2	H7	114.243
C3	C2	H8	111.895	C3	C4	O5	104.961
C3	C4	H11	114.373	C3	C4	H12	112.489
C4	C3	H9	110.101	C4	C3	H10	111.906
O5	C1	O6	122.024	O5	C4	H11	106.595
O5	C4	H12	107.797	H7	C2	H8	107.998
H9	C3	H10	108.206	H11	C4	H12	110.115

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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