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	hartrees
Energy at 0K	-301.140567
Energy at 298.15K
HF Energy	-300.816863
Nuclear repulsion energy	233.325305

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3546	3152	1.32
2	A	3532	3140	0.10
3	A	3478	3092	4.57
4	A	3425	3045	0.79
5	A	3413	3034	0.77
6	A	3358	2985	10.99
7	A	1837	1633	76.57
8	A	1716	1525	3.54
9	A	1706	1516	0.82
10	A	1688	1500	0.78
11	A	1520	1351	9.45
12	A	1496	1330	2.73
13	A	1451	1289	3.06
14	A	1378	1225	1.40
15	A	1347	1197	11.82
16	A	1296	1152	104.95
17	A	1280	1138	44.89
18	A	1191	1059	13.15
19	A	1171	1041	6.29
20	A	1114	990	12.89
21	A	1027	913	2.31
22	A	974	866	1.56
23	A	923	821	5.87
24	A	835	742	8.05
25	A	701	623	1.39
26	A	650	578	2.27
27	A	521	463	3.11
28	A	475	422	4.21
29	A	176	156	1.71
30	A	126	112	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.904	0.018	0.008
C2	-0.060	1.263	0.138
C3	-1.457	0.666	-0.195
C4	-1.266	-0.858	0.133
O5	0.150	-1.198	-0.069
O6	2.155	-0.000	-0.047
H7	0.251	2.068	-0.550
H8	-0.019	1.651	1.173
H9	-1.692	0.799	-1.267
H10	-2.272	1.110	0.403
H11	-1.876	-1.514	-0.525
H12	-1.554	-1.066	1.190

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5801	2.4573	2.3437	1.4330	1.2518	2.2228	2.2083	2.9962	3.3820	3.2186	2.9351
C2	1.5801		1.5550	2.4395	2.4780	2.5568	1.1044	1.1062	2.2026	2.2328	3.3831	2.9595
C3	2.4573	1.5550		1.5713	2.4643	3.6760	2.2382	2.2163	1.1047	1.1040	2.2445	2.2204
C4	2.3437	2.4395	1.5713		1.4694	3.5310	3.3663	2.9890	2.2109	2.2268	1.1114	1.1153
O5	1.4330	2.4780	2.4643	1.4694		2.3354	3.3027	3.1121	2.9692	3.3781	2.1001	2.1219
O6	1.2518	2.5568	3.6760	3.5310	2.3354		2.8559	2.9901	4.1143	4.5862	4.3316	4.0520
H7	2.2228	1.1044	2.2382	3.3663	3.3027	2.8559		1.7935	2.4291	2.8626	4.1660	4.0136
H8	2.2083	1.1062	2.2163	2.9890	3.1121	2.9901	1.7935		3.0788	2.4423	4.0436	3.1207
H9	2.9962	2.2026	1.1047	2.2109	2.9692	4.1143	2.4291	3.0788		1.7944	2.4361	3.0878
H10	3.3820	2.2328	1.1040	2.2268	3.3781	4.5862	2.8626	2.4423	1.7944		2.8112	2.4227
H11	3.2186	3.3831	2.2445	1.1114	2.1001	4.3316	4.1660	4.0436	2.4361	2.8112		1.8021
H12	2.9351	2.9595	2.2204	1.1153	2.1219	4.0520	4.0136	3.1207	3.0878	2.4227	1.8021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.217	C1	C2	H7	110.531
C1	C2	H8	109.312	C1	O5	C4	107.701
C2	C1	O5	110.555	C2	C1	O6	128.699
C2	C3	C4	102.581	C2	C3	H9	110.676
C2	C3	H10	113.132	C3	C2	H7	113.542
C3	C2	H8	111.675	C3	C4	O5	108.231
C3	C4	H11	112.450	C3	C4	H12	110.324
C4	C3	H9	110.202	C4	C3	H10	111.489
O5	C1	O6	120.740	O5	C4	H11	108.122
O5	C4	H12	109.605	H7	C2	H8	108.448
H9	C3	H10	108.668	H11	C4	H12	108.062

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

using model chemistry: MP2=FULL/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: MP2=FULL/STO-3G

States and conformations

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