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	hartrees
Energy at 0K	-305.787869
Energy at 298.15K
HF Energy	-304.805819
Nuclear repulsion energy	241.500522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3187	3021	10.94
2	A	3179	3013	24.30
3	A	3166	3002	15.15
4	A	3108	2946	20.55
5	A	3101	2940	4.89
6	A	3092	2931	39.19
7	A	1923	1823	410.03
8	A	1563	1482	0.81
9	A	1529	1450	7.24
10	A	1498	1420	6.94
11	A	1448	1373	18.50
12	A	1385	1313	2.33
13	A	1348	1278	16.15
14	A	1299	1232	17.66
15	A	1248	1183	19.53
16	A	1232	1168	2.59
17	A	1217	1154	228.36
18	A	1126	1068	27.72
19	A	1113	1055	56.26
20	A	1033	980	11.91
21	A	962	912	4.45
22	A	922	874	11.15
23	A	903	856	18.73
24	A	828	785	5.44
25	A	699	662	5.57
26	A	649	616	3.83
27	A	539	511	4.61
28	A	507	481	3.99
29	A	219	208	3.04
30	A	148	140	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.882	-0.003	0.006
C2	-0.029	1.203	0.179
C3	-1.394	0.663	-0.238
C4	-1.260	-0.813	0.142
O5	0.127	-1.131	-0.053
O6	2.071	-0.026	-0.074
H7	0.341	2.039	-0.409
H8	-0.008	1.487	1.234
H9	-1.526	0.759	-1.317
H10	-2.232	1.144	0.263
H11	-1.843	-1.487	-0.482
H12	-1.513	-0.982	1.191

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5211	2.3832	2.2934	1.3585	1.1927	2.1535	2.1271	2.8511	3.3286	3.1405	2.8458
C2	1.5211		1.5261	2.3625	2.3508	2.4463	1.0872	1.0931	2.1630	2.2061	3.3114	2.8286
C3	2.3832	1.5261		1.5297	2.3588	3.5366	2.2209	2.1832	1.0912	1.0889	2.2098	2.1819
C4	2.2934	2.3625	1.5297		1.4357	3.4297	3.3168	2.8377	2.1608	2.1889	1.0875	1.0930
O5	1.3585	2.3508	2.3588	1.4357		2.2371	3.1978	2.9210	2.8113	3.2927	2.0470	2.0638
O6	1.1927	2.4463	3.5366	3.4297	2.2371		2.7154	2.8858	3.8866	4.4727	4.1982	3.9198
H7	2.1535	1.0872	2.2209	3.3168	3.1978	2.7154		1.7684	2.4392	2.8058	4.1485	3.8890
H8	2.1271	1.0931	2.1832	2.8377	2.9210	2.8858	1.7684		3.0567	2.4512	3.8933	2.8918
H9	2.8511	2.1630	1.0912	2.1608	2.8113	3.8866	2.4392	3.0567		1.7722	2.4172	3.0528
H10	3.3286	2.2061	1.0889	2.1889	3.2927	4.4727	2.8058	2.4512	1.7722		2.7620	2.4287
H11	3.1405	3.3114	2.2098	1.0875	2.0470	4.1982	4.1485	3.8933	2.4172	2.7620		1.7782
H12	2.8458	2.8286	2.1819	1.0930	2.0638	3.9198	3.8890	2.8918	3.0528	2.4287	1.7782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.904	C1	C2	H7	110.191
C1	C2	H8	107.791	C1	O5	C4	110.294
C2	C1	O5	109.315	C2	C1	O6	128.284
C2	C3	C4	101.272	C2	C3	H9	110.359
C2	C3	H10	114.008	C3	C2	H7	115.358
C3	C2	H8	111.868	C3	C4	O5	105.353
C3	C4	H11	114.139	C3	C4	H12	111.513
C4	C3	H9	109.937	C4	C3	H10	112.332
O5	C1	O6	122.401	O5	C4	H11	107.642
O5	C4	H12	108.651	H7	C2	H8	108.407
H9	C3	H10	108.754	H11	C4	H12	109.279

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

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

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