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	hartrees
Energy at 0K	-305.827455
Energy at 298.15K
HF Energy	-304.735736
Nuclear repulsion energy	241.412256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3195	3021	6.14
2	A	3181	3008	17.67
3	A	3172	2999	13.34
4	A	3119	2949	14.28
5	A	3112	2943	4.25
6	A	3095	2927	35.03
7	A	1928	1823	360.33
8	A	1560	1475	0.64
9	A	1528	1445	4.99
10	A	1497	1416	6.94
11	A	1434	1356	22.33
12	A	1372	1297	3.88
13	A	1338	1265	14.34
14	A	1290	1219	14.40
15	A	1245	1178	35.90
16	A	1224	1157	2.30
17	A	1220	1153	176.17
18	A	1123	1062	28.95
19	A	1111	1051	48.17
20	A	1029	973	11.55
21	A	962	910	3.65
22	A	915	865	10.94
23	A	898	849	10.31
24	A	826	781	4.43
25	A	696	658	5.54
26	A	647	612	3.91
27	A	539	510	3.22
28	A	498	471	4.28
29	A	220	208	2.42
30	A	150	142	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.882	-0.003	0.005
C2	-0.030	1.203	0.184
C3	-1.395	0.663	-0.241
C4	-1.257	-0.815	0.139
O5	0.127	-1.130	-0.047
O6	2.072	-0.025	-0.078
H7	0.342	2.048	-0.393
H8	-0.014	1.479	1.242
H9	-1.523	0.760	-1.321
H10	-2.240	1.144	0.252
H11	-1.839	-1.490	-0.487
H12	-1.520	-0.988	1.188

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5230	2.3856	2.2926	1.3572	1.1933	2.1578	2.1288	2.8508	3.3351	3.1401	2.8534
C2	1.5230		1.5281	2.3624	2.3494	2.4493	1.0883	1.0942	2.1657	2.2113	3.3130	2.8337
C3	2.3856	1.5281		1.5325	2.3598	3.5391	2.2265	2.1849	1.0924	1.0898	2.2123	2.1872
C4	2.2926	2.3624	1.5325		1.4321	3.4292	3.3221	2.8330	2.1646	2.1942	1.0895	1.0946
O5	1.3572	2.3494	2.3598	1.4321		2.2371	3.2032	2.9136	2.8136	3.2954	2.0469	2.0639
O6	1.1933	2.4493	3.5391	3.4292	2.2371		2.7188	2.8917	3.8845	4.4800	4.1968	3.9290
H7	2.1578	1.0883	2.2265	3.3221	3.2032	2.7188		1.7677	2.4490	2.8103	4.1571	3.8965
H8	2.1288	1.0942	2.1849	2.8330	2.9136	2.8917	1.7677		3.0606	2.4587	3.8909	2.8912
H9	2.8508	2.1657	1.0924	2.1646	2.8136	3.8845	2.4490	3.0606		1.7715	2.4205	3.0582
H10	3.3351	2.2113	1.0898	2.1942	3.2954	4.4800	2.8103	2.4587	1.7715		2.7650	2.4367
H11	3.1401	3.3130	2.2123	1.0895	2.0469	4.1968	4.1571	3.8909	2.4205	2.7650		1.7776
H12	2.8534	2.8337	2.1872	1.0946	2.0639	3.9290	3.8965	2.8912	3.0582	2.4367	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.869	C1	C2	H7	110.337
C1	C2	H8	107.731	C1	O5	C4	110.524
C2	C1	O5	109.178	C2	C1	O6	128.361
C2	C3	C4	101.045	C2	C3	H9	110.369
C2	C3	H10	114.231	C3	C2	H7	115.614
C3	C2	H8	111.789	C3	C4	O5	105.446
C3	C4	H11	114.009	C3	C4	H12	111.636
C4	C3	H9	109.976	C4	C3	H10	112.500
O5	C1	O6	122.461	O5	C4	H11	107.760
O5	C4	H12	108.805	H7	C2	H8	108.180
H9	C3	H10	108.548	H11	C4	H12	108.956

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

using model chemistry: CCSD/6-31G(2df,p)

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: CCSD/6-31G(2df,p)

States and conformations

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