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	hartrees
Energy at 0K	-57.297322
Energy at 298.15K
HF Energy	-56.698169
Nuclear repulsion energy	126.326961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3128	3053	33.41
2	A	3105	3031	16.19
3	A	3088	3014	16.80
4	A	3024	2952	42.01
5	A	3017	2945	24.32
6	A	3010	2938	18.76
7	A	1656	1616	259.41
8	A	1536	1499	0.29
9	A	1517	1481	6.92
10	A	1499	1463	10.52
11	A	1390	1356	3.32
12	A	1372	1339	0.04
13	A	1338	1306	4.24
14	A	1244	1214	4.40
15	A	1217	1188	2.19
16	A	1169	1141	4.70
17	A	1121	1094	91.96
18	A	1091	1065	135.65
19	A	1037	1012	38.49
20	A	960	937	52.24
21	A	918	896	12.29
22	A	885	863	12.49
23	A	851	830	60.02
24	A	751	733	29.25
25	A	637	622	1.93
26	A	613	598	4.71
27	A	501	489	4.41
28	A	453	442	2.40
29	A	195	190	5.19
30	A	138	135	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.916	0.002	0.009
C2	-0.017	1.234	0.180
C3	-1.425	0.699	-0.236
C4	-1.346	-0.822	0.134
O5	0.111	-1.185	-0.043
O6	2.166	-0.041	-0.076
H7	0.353	2.068	-0.433
H8	0.005	1.541	1.241
H9	-1.569	0.813	-1.322
H10	-2.250	1.205	0.289
H11	-1.906	-1.485	-0.535
H12	-1.613	-1.014	1.186

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5543	2.4547	2.4101	1.4349	1.2536	2.1857	2.1710	2.9336	3.3976	3.2362	2.9683
C2	1.5543		1.5633	2.4483	2.4327	2.5404	1.0986	1.1043	2.2013	2.2356	3.3878	2.9346
C3	2.4547	1.5633		1.5667	2.4387	3.6699	2.2527	2.2215	1.1021	1.1006	2.2563	2.2337
C4	2.4101	2.4483	1.5667		1.5124	3.6034	3.3992	2.9375	2.2010	2.2247	1.0964	1.1017
O5	1.4349	2.4327	2.4387	1.5124		2.3515	3.2847	3.0148	2.9077	3.3762	2.0985	2.1243
O6	1.2536	2.5404	3.6699	3.6034	2.3515		2.8034	2.9839	4.0292	4.6021	4.3450	4.1007
H7	2.1857	1.0986	2.2527	3.3992	3.2847	2.8034		1.7886	2.4618	2.8348	4.2117	3.9974
H8	2.1710	1.1043	2.2215	2.9375	3.0148	2.9839	1.7886		3.0948	2.4699	3.9952	3.0242
H9	2.9336	2.2013	1.1021	2.2010	2.9077	4.0292	2.4618	3.0948		1.7925	2.4531	3.1034
H10	3.3976	2.2356	1.1006	2.2247	3.3762	4.6021	2.8348	2.4699	1.7925		2.8348	2.4768
H11	3.2362	3.3878	2.2563	1.0964	2.0985	4.3450	4.2117	3.9952	2.4531	2.8348		1.8076
H12	2.9683	2.9346	2.2337	1.1017	2.1243	4.1007	3.9974	3.0242	3.1034	2.4768	1.8076

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.879	C1	C2	H7	109.762
C1	C2	H8	108.303	C1	O5	C4	109.690
C2	C1	O5	108.877	C2	C1	O6	129.262
C2	C3	C4	102.925	C2	C3	H9	110.159
C2	C3	H10	112.963	C3	C2	H7	114.487
C3	C2	H8	111.612	C3	C4	O5	104.735
C3	C4	H11	114.673	C3	C4	H12	112.492
C4	C3	H9	109.897	C4	C3	H10	111.842
O5	C1	O6	121.861	O5	C4	H11	106.001
O5	C4	H12	107.672	H7	C2	H8	108.571
H9	C3	H10	108.936	H11	C4	H12	110.639

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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