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	hartrees
Energy at 0K	-305.658181
Energy at 298.15K
HF Energy	-304.717910
Nuclear repulsion energy	240.493946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3236	3040	11.76
2	A	3233	3036	12.62
3	A	3218	3022	10.64
4	A	3152	2961	17.54
5	A	3142	2951	6.71
6	A	3139	2948	36.51
7	A	1841	1729	363.66
8	A	1573	1477	0.49
9	A	1542	1448	6.21
10	A	1510	1419	8.39
11	A	1425	1339	15.64
12	A	1380	1297	1.62
13	A	1342	1260	11.35
14	A	1286	1208	9.89
15	A	1246	1170	16.01
16	A	1217	1143	8.72
17	A	1194	1121	220.60
18	A	1119	1051	13.22
19	A	1085	1019	62.31
20	A	1028	965	31.71
21	A	967	908	5.66
22	A	919	863	11.49
23	A	898	843	24.93
24	A	822	772	8.23
25	A	681	640	3.60
26	A	646	607	3.19
27	A	533	500	3.67
28	A	487	458	2.93
29	A	229	215	3.30
30	A	153	144	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.882	-0.003	0.006
C2	-0.029	1.197	0.188
C3	-1.388	0.668	-0.248
C4	-1.279	-0.802	0.143
O5	0.117	-1.140	-0.049
O6	2.092	-0.029	-0.078
H7	0.348	2.042	-0.381
H8	-0.019	1.467	1.246
H9	-1.502	0.759	-1.327
H10	-2.231	1.162	0.232
H11	-1.859	-1.479	-0.477
H12	-1.528	-0.966	1.193

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5178	2.3812	2.3082	1.3715	1.2126	2.1485	2.1233	2.8361	3.3314	3.1505	2.8538
C2	1.5178		1.5225	2.3585	2.3536	2.4639	1.0860	1.0919	2.1586	2.2026	3.3096	2.8173
C3	2.3812	1.5225		1.5254	2.3609	3.5532	2.2186	2.1783	1.0895	1.0878	2.2098	2.1828
C4	2.3082	2.3585	1.5254		1.4488	3.4650	3.3185	2.8199	2.1561	2.1845	1.0858	1.0910
O5	1.3715	2.3536	2.3609	1.4488		2.2659	3.2074	2.9135	2.8035	3.2998	2.0500	2.0682
O6	1.2126	2.4639	3.5532	3.4650	2.2659		2.7238	2.9053	3.8857	4.4941	4.2272	3.9487
H7	2.1485	1.0860	2.2186	3.3185	3.2074	2.7238		1.7644	2.4430	2.7934	4.1568	3.8789
H8	2.1233	1.0919	2.1783	2.8199	2.9135	2.9053	1.7644		3.0537	2.4527	3.8770	2.8633
H9	2.8361	2.1586	1.0895	2.1561	2.8035	3.8857	2.4430	3.0537		1.7675	2.4200	3.0538
H10	3.3314	2.2026	1.0878	2.1845	3.2998	4.4941	2.7934	2.4527	1.7675		2.7593	2.4384
H11	3.1505	3.3096	2.2098	1.0858	2.0500	4.2272	4.1568	3.8770	2.4200	2.7593		1.7776
H12	2.8538	2.8173	2.1828	1.0910	2.0682	3.9487	3.8789	2.8633	3.0538	2.4384	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.108	C1	C2	H7	110.095
C1	C2	H8	107.786	C1	O5	C4	109.821
C2	C1	O5	108.989	C2	C1	O6	128.602
C2	C3	C4	101.398	C2	C3	H9	110.367
C2	C3	H10	114.057	C3	C2	H7	115.519
C3	C2	H8	111.801	C3	C4	O5	105.059
C3	C4	H11	114.579	C3	C4	H12	112.013
C4	C3	H9	109.965	C4	C3	H10	112.353
O5	C1	O6	122.408	O5	C4	H11	107.093
O5	C4	H12	108.215	H7	C2	H8	108.217
H9	C3	H10	108.547	H11	C4	H12	109.495

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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