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	hartrees
Energy at 0K	-303.610752
Energy at 298.15K
HF Energy	-302.996504
Nuclear repulsion energy	236.033783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3033	18.23
2	A	3192	3026	10.17
3	A	3182	3017	6.20
4	A	3127	2964	11.93
5	A	3113	2951	4.34
6	A	3110	2948	33.12
7	A	1768	1676	194.12
8	A	1610	1526	2.15
9	A	1583	1500	5.07
10	A	1561	1480	9.01
11	A	1414	1340	2.55
12	A	1407	1333	0.35
13	A	1363	1292	6.05
14	A	1297	1229	6.46
15	A	1254	1189	3.17
16	A	1214	1151	3.39
17	A	1142	1082	22.78
18	A	1103	1046	197.67
19	A	1031	978	13.92
20	A	990	939	53.05
21	A	938	889	2.63
22	A	904	857	17.03
23	A	888	842	34.92
24	A	764	724	13.13
25	A	670	636	4.34
26	A	632	599	2.66
27	A	532	504	2.21
28	A	476	451	1.76
29	A	216	205	3.79
30	A	144	137	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.906	0.004	0.007
C2	-0.030	1.220	0.195
C3	-1.406	0.683	-0.257
C4	-1.315	-0.815	0.147
O5	0.119	-1.175	-0.047
O6	2.130	-0.029	-0.079
H7	0.341	2.065	-0.387
H8	-0.039	1.491	1.257
H9	-1.498	0.766	-1.344
H10	-2.250	1.186	0.218
H11	-1.907	-1.476	-0.485
H12	-1.578	-0.955	1.199

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5462	2.4242	2.3716	1.4183	1.2273	2.1734	2.1612	2.8606	3.3774	3.2168	2.9182
C2	1.5462		1.5448	2.4074	2.4118	2.5102	1.0909	1.0966	2.1746	2.2211	3.3554	2.8531
C3	2.4242	1.5448		1.5540	2.4130	3.6115	2.2314	2.1941	1.0937	1.0918	2.2287	2.1989
C4	2.3716	2.4074	1.5540		1.4917	3.5409	3.3649	2.8602	2.1799	2.2098	1.0896	1.0942
O5	1.4183	2.4118	2.4130	1.4917		2.3143	3.2654	2.9726	2.8393	3.3556	2.0950	2.1177
O6	1.2273	2.5102	3.6115	3.5409	2.3143		2.7719	2.9671	3.9236	4.5558	4.3079	4.0303
H7	2.1734	1.0909	2.2314	3.3649	3.2654	2.7719		1.7824	2.4467	2.8028	4.1962	3.9146
H8	2.1612	1.0966	2.1941	2.8602	2.9726	2.9671	1.7824		3.0691	2.4622	3.9158	2.8912
H9	2.8606	2.1746	1.0937	2.1799	2.8393	3.9236	2.4467	3.0691		1.7841	2.4355	3.0716
H10	3.3774	2.2211	1.0918	2.2098	3.3556	4.5558	2.8028	2.4622	1.7841		2.7752	2.4494
H11	3.2168	3.3554	2.2287	1.0896	2.0950	4.3079	4.1962	3.9158	2.4355	2.7752		1.7935
H12	2.9182	2.8531	2.1989	1.0942	2.1177	4.0303	3.9146	2.8912	3.0716	2.4494	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.309	C1	C2	H7	109.800
C1	C2	H8	108.533	C1	O5	C4	109.146
C2	C1	O5	108.818	C2	C1	O6	129.306
C2	C3	C4	101.955	C2	C3	H9	109.832
C2	C3	H10	113.684	C3	C2	H7	114.593
C3	C2	H8	111.202	C3	C4	O5	104.777
C3	C4	H11	113.777	C3	C4	H12	111.076
C4	C3	H9	109.612	C4	C3	H10	112.093
O5	C1	O6	121.872	O5	C4	H11	107.485
O5	C4	H12	108.989	H7	C2	H8	109.138
H9	C3	H10	109.433	H11	C4	H12	110.429

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

using model chemistry: MP2=FULL/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=FULL/3-21G*

States and conformations

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