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	hartrees
Energy at 0K	-305.438564
Energy at 298.15K
HF Energy	-304.704561
Nuclear repulsion energy	242.277741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3279	3029	14.98
2	A	3274	3024	19.93
3	A	3259	3010	12.89
4	A	3203	2959	17.39
5	A	3194	2951	14.02
6	A	3194	2950	30.84
7	A	2008	1855	438.82
8	A	1634	1509	0.45
9	A	1601	1479	6.61
10	A	1569	1449	9.24
11	A	1497	1383	31.50
12	A	1439	1329	4.24
13	A	1406	1299	21.94
14	A	1339	1237	25.28
15	A	1304	1205	59.58
16	A	1284	1186	182.73
17	A	1274	1177	3.26
18	A	1174	1085	27.42
19	A	1161	1073	62.78
20	A	1072	990	12.92
21	A	996	920	5.39
22	A	955	882	9.52
23	A	939	867	11.66
24	A	863	797	6.01
25	A	719	664	7.89
26	A	676	624	5.21
27	A	560	518	5.37
28	A	515	476	5.54
29	A	224	207	3.09
30	A	155	143	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.879	-0.007	0.004
C2	-0.024	1.197	0.177
C3	-1.389	0.664	-0.231
C4	-1.260	-0.812	0.134
O5	0.122	-1.122	-0.046
O6	2.068	-0.030	-0.075
H7	0.345	2.031	-0.409
H8	0.004	1.488	1.227
H9	-1.533	0.773	-1.304
H10	-2.222	1.146	0.274
H11	-1.833	-1.478	-0.501
H12	-1.525	-0.999	1.174

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5145	2.3772	2.2892	1.3488	1.1919	2.1470	2.1207	2.8528	3.3191	3.1265	2.8518
C2	1.5145		1.5218	2.3590	2.3344	2.4384	1.0846	1.0901	2.1571	2.2009	3.3001	2.8406
C3	2.3772	1.5218		1.5258	2.3475	3.5300	2.2159	2.1785	1.0881	1.0861	2.2047	2.1810
C4	2.2892	2.3590	1.5258		1.4283	3.4250	3.3099	2.8426	2.1572	2.1855	1.0843	1.0889
O5	1.3488	2.3344	2.3475	1.4283		2.2312	3.1822	2.9066	2.8134	3.2774	2.0387	2.0536
O6	1.1919	2.4384	3.5300	3.4250	2.2312		2.7076	2.8749	3.8892	4.4620	4.1826	3.9255
H7	2.1470	1.0846	2.2159	3.3099	3.1822	2.7076		1.7579	2.4319	2.8001	4.1319	3.8970
H8	2.1207	1.0901	2.1785	2.8426	2.9066	2.8749	1.7579		3.0466	2.4453	3.8934	2.9198
H9	2.8528	2.1571	1.0881	2.1572	2.8134	3.8892	2.4319	3.0466		1.7612	2.4091	3.0458
H10	3.3191	2.2009	1.0861	2.1855	3.2774	4.4620	2.8001	2.4453	1.7612		2.7638	2.4280
H11	3.1265	3.3001	2.2047	1.0843	2.0387	4.1826	4.1319	3.8934	2.4091	2.7638		1.7684
H12	2.8518	2.8406	2.1810	1.0889	2.0536	3.9255	3.8970	2.9198	3.0458	2.4280	1.7684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.063	C1	C2	H7	110.296
C1	C2	H8	107.908	C1	O5	C4	111.011
C2	C1	O5	109.093	C2	C1	O6	128.179
C2	C3	C4	101.441	C2	C3	H9	110.387
C2	C3	H10	114.079	C3	C2	H7	115.446
C3	C2	H8	111.982	C3	C4	O5	105.198
C3	C4	H11	114.211	C3	C4	H12	111.967
C4	C3	H9	110.107	C4	C3	H10	112.507
O5	C1	O6	122.727	O5	C4	H11	107.680
O5	C4	H12	108.587	H7	C2	H8	107.874
H9	C3	H10	108.205	H11	C4	H12	108.925

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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