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	hartrees
Energy at 0K	-305.717714
Energy at 298.15K
HF Energy	-304.770374
Nuclear repulsion energy	241.216865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3160	3018	12.74
2	A	3153	3011	25.45
3	A	3141	3000	13.70
4	A	3084	2945	20.22
5	A	3076	2938	6.48
6	A	3067	2929	41.02
7	A	1938	1851	392.71
8	A	1566	1496	0.74
9	A	1537	1468	8.77
10	A	1507	1439	10.48
11	A	1436	1371	20.86
12	A	1376	1314	1.75
13	A	1342	1282	18.78
14	A	1293	1235	17.65
15	A	1252	1196	39.48
16	A	1229	1173	5.24
17	A	1222	1167	200.48
18	A	1130	1079	44.72
19	A	1118	1068	37.77
20	A	1032	986	13.51
21	A	964	921	3.55
22	A	919	878	10.45
23	A	901	861	14.91
24	A	830	793	5.74
25	A	697	665	5.76
26	A	650	620	3.91
27	A	541	517	3.38
28	A	503	480	4.39
29	A	227	217	3.14
30	A	151	144	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.883	-0.005	0.004
C2	-0.030	1.204	0.181
C3	-1.396	0.663	-0.240
C4	-1.258	-0.815	0.144
O5	0.127	-1.132	-0.054
O6	2.073	-0.024	-0.074
H7	0.345	2.048	-0.401
H8	-0.012	1.489	1.241
H9	-1.526	0.758	-1.324
H10	-2.243	1.148	0.254
H11	-1.843	-1.496	-0.477
H12	-1.510	-0.984	1.199

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5249	2.3881	2.2933	1.3586	1.1921	2.1603	2.1360	2.8555	3.3413	3.1451	2.8481
C2	1.5249		1.5287	2.3625	2.3522	2.4484	1.0919	1.0979	2.1688	2.2149	3.3181	2.8302
C3	2.3881	1.5287		1.5329	2.3611	3.5404	2.2306	2.1894	1.0959	1.0936	2.2175	2.1898
C4	2.2933	2.3625	1.5329		1.4339	3.4297	3.3253	2.8395	2.1682	2.1986	1.0921	1.0976
O5	1.3586	2.3522	2.3611	1.4339		2.2389	3.2056	2.9265	2.8138	3.3024	2.0477	2.0660
O6	1.1921	2.4484	3.5404	3.4297	2.2389		2.7178	2.8926	3.8895	4.4841	4.2028	3.9209
H7	2.1603	1.0919	2.2306	3.3253	3.2056	2.7178		1.7711	2.4528	2.8171	4.1657	3.8974
H8	2.1360	1.0979	2.1894	2.8395	2.9265	2.8926	1.7711		3.0673	2.4634	3.9009	2.8915
H9	2.8555	2.1688	1.0959	2.1682	2.8138	3.8895	2.4528	3.0673		1.7764	2.4293	3.0660
H10	3.3413	2.2149	1.0936	2.1986	3.3024	4.4841	2.8171	2.4634	1.7764		2.7719	2.4443
H11	3.1451	3.3181	2.2175	1.0921	2.0477	4.2028	4.1657	3.9009	2.4293	2.7719		1.7833
H12	2.8481	2.8302	2.1898	1.0976	2.0660	3.9209	3.8974	2.8915	3.0660	2.4443	1.7833

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.895	C1	C2	H7	110.183
C1	C2	H8	107.947	C1	O5	C4	110.388
C2	C1	O5	109.184	C2	C1	O6	128.201
C2	C3	C4	101.006	C2	C3	H9	110.359
C2	C3	H10	114.236	C3	C2	H7	115.674
C3	C2	H8	111.890	C3	C4	O5	105.422
C3	C4	H11	114.243	C3	C4	H12	111.642
C4	C3	H9	110.028	C4	C3	H10	112.594
O5	C1	O6	122.615	O5	C4	H11	107.548
O5	C4	H12	108.669	H7	C2	H8	107.957
H9	C3	H10	108.456	H11	C4	H12	109.055

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

using model chemistry: CCD/6-311G*

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: CCD/6-311G*

States and conformations

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