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	hartrees
Energy at 0K	-302.070754
Energy at 298.15K
HF Energy	-301.954646
Nuclear repulsion energy	233.480936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3521	3521	0.53
2	A	3506	3506	0.06
3	A	3450	3450	2.92
4	A	3404	3404	0.41
5	A	3390	3390	0.99
6	A	3333	3333	8.92
7	A	1872	1872	99.56
8	A	1693	1693	1.29
9	A	1682	1682	1.57
10	A	1665	1665	1.58
11	A	1495	1495	5.89
12	A	1476	1476	1.01
13	A	1428	1428	1.66
14	A	1356	1356	1.62
15	A	1326	1326	6.88
16	A	1266	1266	49.58
17	A	1254	1254	101.47
18	A	1172	1172	8.42
19	A	1151	1151	6.51
20	A	1095	1095	17.16
21	A	1012	1012	1.84
22	A	961	961	1.21
23	A	911	911	5.84
24	A	824	824	5.66
25	A	692	692	1.44
26	A	643	643	2.70
27	A	516	516	2.09
28	A	466	466	4.06
29	A	173	173	1.50
30	A	131	131	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.909	0.018	0.008
C2	-0.057	1.258	0.141
C3	-1.453	0.670	-0.193
C4	-1.276	-0.854	0.124
O5	0.148	-1.197	-0.057
O6	2.154	-0.004	-0.052
H7	0.255	2.062	-0.544
H8	-0.012	1.642	1.174
H9	-1.688	0.811	-1.260
H10	-2.262	1.114	0.408
H11	-1.871	-1.501	-0.552
H12	-1.575	-1.075	1.172

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5777	2.4587	2.3553	1.4350	1.2473	2.2163	2.2016	2.9969	3.3784	3.2166	2.9526
C2	1.5777		1.5513	2.4392	2.4718	2.5536	1.1010	1.1030	2.1960	2.2257	3.3738	2.9686
C3	2.4587	1.5513		1.5675	2.4636	3.6728	2.2309	2.2110	1.1012	1.1006	2.2398	2.2192
C4	2.3553	2.4392	1.5675		1.4754	3.5387	3.3608	2.9887	2.2040	2.2193	1.1082	1.1117
O5	1.4350	2.4718	2.4636	1.4754		2.3347	3.2972	3.0987	2.9751	3.3706	2.1007	2.1192
O6	1.2473	2.5536	3.6728	3.5387	2.3347		2.8495	2.9847	4.1096	4.5787	4.3238	4.0687
H7	2.2163	1.1010	2.2309	3.3608	3.2972	2.8495		1.7885	2.4192	2.8529	4.1488	4.0168
H8	2.2016	1.1030	2.2110	2.9887	3.0987	2.9847	1.7885		3.0694	2.4343	4.0386	3.1348
H9	2.9969	2.1960	1.1012	2.2040	2.9751	4.1096	2.4192	3.0694		1.7891	2.4246	3.0793
H10	3.3784	2.2257	1.1006	2.2193	3.3706	4.5787	2.8529	2.4343	1.7891		2.8120	2.4179
H11	3.2166	3.3738	2.2398	1.1082	2.1007	4.3238	4.1488	4.0386	2.4246	2.8120		1.7994
H12	2.9526	2.9686	2.2192	1.1117	2.1192	4.0687	4.0168	3.1348	3.0793	2.4179	1.7994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.582	C1	C2	H7	110.393
C1	C2	H8	109.136	C1	O5	C4	108.035
C2	C1	O5	110.171	C2	C1	O6	128.976
C2	C3	C4	102.910	C2	C3	H9	110.621
C2	C3	H10	113.032	C3	C2	H7	113.429
C3	C2	H8	111.701	C3	C4	O5	108.079
C3	C4	H11	112.544	C3	C4	H12	110.697
C4	C3	H9	110.132	C4	C3	H10	111.366
O5	C1	O6	120.850	O5	C4	H11	107.951
O5	C4	H12	109.183	H7	C2	H8	108.480
H9	C3	H10	108.693	H11	C4	H12	108.307

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

using model chemistry: B2PLYP=FULLultrafine/STO-3G

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: B2PLYP=FULLultrafine/STO-3G

States and conformations

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