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	hartrees
Energy at 0K	-303.600403
Energy at 298.15K
HF Energy	-302.996437
Nuclear repulsion energy	235.995204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3198	3053	17.87
2	A	3191	3046	10.64
3	A	3181	3036	6.32
4	A	3126	2984	12.00
5	A	3112	2970	4.32
6	A	3108	2967	33.30
7	A	1767	1687	194.16
8	A	1610	1537	2.18
9	A	1583	1511	5.02
10	A	1561	1490	8.97
11	A	1413	1349	2.60
12	A	1406	1342	0.33
13	A	1362	1300	5.99
14	A	1297	1238	6.49
15	A	1254	1197	3.18
16	A	1214	1158	3.44
17	A	1142	1090	22.21
18	A	1102	1052	198.18
19	A	1031	984	13.94
20	A	990	945	53.10
21	A	937	895	2.63
22	A	904	863	17.16
23	A	888	848	34.79
24	A	764	729	13.07
25	A	670	640	4.36
26	A	632	603	2.65
27	A	532	508	2.22
28	A	475	454	1.76
29	A	217	207	3.80
30	A	144	138	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.907	0.004	0.007
C2	-0.030	1.221	0.195
C3	-1.406	0.683	-0.257
C4	-1.315	-0.815	0.147
O5	0.120	-1.175	-0.048
O6	2.131	-0.029	-0.078
H7	0.340	2.066	-0.387
H8	-0.040	1.492	1.257
H9	-1.498	0.766	-1.344
H10	-2.251	1.186	0.219
H11	-1.907	-1.477	-0.484
H12	-1.578	-0.956	1.200

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5468	2.4249	2.3717	1.4184	1.2274	2.1741	2.1620	2.8613	3.3782	3.2173	2.9182
C2	1.5468		1.5451	2.4077	2.4124	2.5109	1.0911	1.0968	2.1748	2.2214	3.3559	2.8533
C3	2.4249	1.5451		1.5543	2.4134	3.6125	2.2318	2.1944	1.0939	1.0920	2.2291	2.1993
C4	2.3717	2.4077	1.5543		1.4917	3.5411	3.3653	2.8604	2.1806	2.2103	1.0897	1.0944
O5	1.4184	2.4124	2.4134	1.4917		2.3146	3.2659	2.9735	2.8396	3.3563	2.0951	2.1181
O6	1.2274	2.5109	3.6125	3.5411	2.3146		2.7730	2.9678	3.9247	4.5567	4.3086	4.0302
H7	2.1741	1.0911	2.2318	3.3653	3.2659	2.7730		1.7828	2.4467	2.8031	4.1969	3.9150
H8	2.1620	1.0968	2.1944	2.8604	2.9735	2.9678	1.7828		3.0693	2.4623	3.9162	2.8912
H9	2.8613	2.1748	1.0939	2.1806	2.8396	3.9247	2.4467	3.0693		1.7845	2.4365	3.0725
H10	3.3782	2.2214	1.0920	2.2103	3.3563	4.5567	2.8031	2.4623	1.7845		2.7757	2.4500
H11	3.2173	3.3559	2.2291	1.0897	2.0951	4.3086	4.1969	3.9162	2.4365	2.7757		1.7938
H12	2.9182	2.8533	2.1993	1.0944	2.1181	4.0302	3.9150	2.8912	3.0725	2.4500	1.7938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.308	C1	C2	H7	109.808
C1	C2	H8	108.534	C1	O5	C4	109.147
C2	C1	O5	108.814	C2	C1	O6	129.307
C2	C3	C4	101.941	C2	C3	H9	109.812
C2	C3	H10	113.677	C3	C2	H7	114.589
C3	C2	H8	111.187	C3	C4	O5	104.787
C3	C4	H11	113.773	C3	C4	H12	111.072
C4	C3	H9	109.630	C4	C3	H10	112.104
O5	C1	O6	121.876	O5	C4	H11	107.481
O5	C4	H12	109.002	H7	C2	H8	109.148
H9	C3	H10	109.445	H11	C4	H12	110.421

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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