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	hartrees
Energy at 0K	-305.806199
Energy at 298.15K
HF Energy	-304.769437
Nuclear repulsion energy	241.183068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3194	3025	15.94
2	A	3189	3020	16.39
3	A	3177	3009	10.03
4	A	3115	2950	17.92
5	A	3103	2939	6.46
6	A	3097	2933	40.62
7	A	1871	1772	329.10
8	A	1567	1485	0.74
9	A	1537	1456	9.13
10	A	1506	1426	11.46
11	A	1425	1350	12.48
12	A	1371	1299	0.92
13	A	1332	1262	12.74
14	A	1292	1223	10.78
15	A	1245	1179	21.12
16	A	1224	1160	2.75
17	A	1193	1130	216.28
18	A	1119	1060	18.96
19	A	1096	1038	65.19
20	A	1030	976	22.88
21	A	968	917	3.25
22	A	919	870	11.11
23	A	897	849	20.06
24	A	823	780	6.74
25	A	686	650	4.07
26	A	643	609	3.24
27	A	534	506	2.44
28	A	495	469	3.19
29	A	238	225	3.04
30	A	155	147	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.882	-0.003	0.005
C2	-0.035	1.197	0.189
C3	-1.389	0.662	-0.252
C4	-1.262	-0.805	0.149
O5	0.122	-1.136	-0.055
O6	2.079	-0.023	-0.077
H7	0.346	2.049	-0.374
H8	-0.031	1.465	1.252
H9	-1.494	0.743	-1.337
H10	-2.243	1.153	0.219
H11	-1.853	-1.491	-0.458
H12	-1.505	-0.957	1.206

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5212	2.3806	2.2941	1.3656	1.2002	2.1544	2.1307	2.8293	3.3383	3.1478	2.8372
C2	1.5212		1.5223	2.3496	2.3510	2.4551	1.0896	1.0955	2.1602	2.2088	3.3096	2.7994
C3	2.3806	1.5223		1.5267	2.3568	3.5398	2.2246	2.1800	1.0929	1.0913	2.2120	2.1818
C4	2.2941	2.3496	1.5267		1.4375	3.4393	3.3177	2.8083	2.1590	2.1913	1.0895	1.0950
O5	1.3656	2.3510	2.3568	1.4375		2.2516	3.2084	2.9142	2.7904	3.3021	2.0465	2.0661
O6	1.2002	2.4551	3.5398	3.4393	2.2516		2.7177	2.9035	3.8655	4.4886	4.2144	3.9199
H7	2.1544	1.0896	2.2246	3.3177	3.2084	2.7177		1.7682	2.4528	2.8024	4.1681	3.8674
H8	2.1307	1.0955	2.1800	2.8083	2.9142	2.9035	1.7682		3.0601	2.4611	3.8703	2.8355
H9	2.8293	2.1602	1.0929	2.1590	2.7904	3.8655	2.4528	3.0601		1.7745	2.4281	3.0591
H10	3.3383	2.2088	1.0913	2.1913	3.3021	4.4886	2.8024	2.4611	1.7745		2.7570	2.4434
H11	3.1478	3.3096	2.2120	1.0895	2.0465	4.2144	4.1681	3.8703	2.4281	2.7570		1.7816
H12	2.8372	2.7994	2.1818	1.0950	2.0661	3.9199	3.8674	2.8355	3.0591	2.4434	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.925	C1	C2	H7	110.117
C1	C2	H8	107.918	C1	O5	C4	109.821
C2	C1	O5	108.938	C2	C1	O6	128.497
C2	C3	C4	100.818	C2	C3	H9	110.301
C2	C3	H10	114.358	C3	C2	H7	115.808
C3	C2	H8	111.729	C3	C4	O5	105.291
C3	C4	H11	114.422	C3	C4	H12	111.600
C4	C3	H9	109.906	C4	C3	H10	112.595
O5	C1	O6	122.565	O5	C4	H11	107.362
O5	C4	H12	108.583	H7	C2	H8	108.034
H9	C3	H10	108.663	H11	C4	H12	109.286

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

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