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	hartrees
Energy at 0K	-305.934859
Energy at 298.15K
HF Energy	-304.814191
Nuclear repulsion energy	241.381767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3192	3031	6.20
2	A	3183	3022	16.37
3	A	3174	3013	10.31
4	A	3113	2956	15.49
5	A	3101	2945	4.50
6	A	3090	2934	36.51
7	A	1854	1760	334.28
8	A	1542	1464	0.90
9	A	1507	1431	6.46
10	A	1475	1400	8.38
11	A	1407	1336	16.90
12	A	1349	1281	2.32
13	A	1313	1247	11.05
14	A	1277	1213	8.36
15	A	1227	1165	22.06
16	A	1208	1147	2.80
17	A	1183	1124	200.33
18	A	1103	1048	17.96
19	A	1085	1030	67.49
20	A	1020	968	19.23
21	A	959	910	3.59
22	A	905	860	12.67
23	A	886	841	18.65
24	A	816	775	5.54
25	A	683	649	3.68
26	A	637	605	2.93
27	A	530	503	2.47
28	A	493	468	2.93
29	A	227	215	2.39
30	A	153	145	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.881	-0.001	0.005
C2	-0.032	1.196	0.186
C3	-1.390	0.663	-0.247
C4	-1.264	-0.805	0.144
O5	0.122	-1.135	-0.051
O6	2.079	-0.024	-0.077
H7	0.343	2.042	-0.380
H8	-0.021	1.461	1.245
H9	-1.503	0.751	-1.326
H10	-2.234	1.150	0.234
H11	-1.851	-1.480	-0.473
H12	-1.516	-0.966	1.193

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5170	2.3795	2.2955	1.3654	1.2007	2.1485	2.1188	2.8325	3.3289	3.1429	2.8436
C2	1.5170		1.5212	2.3510	2.3483	2.4527	1.0849	1.0912	2.1558	2.2028	3.3019	2.8090
C3	2.3795	1.5212		1.5249	2.3575	3.5401	2.2183	2.1754	1.0886	1.0865	2.2038	2.1778
C4	2.2955	2.3510	1.5249		1.4383	3.4404	3.3118	2.8099	2.1538	2.1841	1.0854	1.0909
O5	1.3654	2.3483	2.3575	1.4383		2.2501	3.2021	2.9049	2.7972	3.2941	2.0467	2.0634
O6	1.2007	2.4527	3.5401	3.4404	2.2501		2.7162	2.8924	3.8717	4.4806	4.2090	3.9271
H7	2.1485	1.0849	2.2183	3.3118	3.2021	2.7162		1.7633	2.4431	2.7953	4.1505	3.8702
H8	2.1188	1.0912	2.1754	2.8099	2.9049	2.8924	1.7633		3.0506	2.4523	3.8659	2.8509
H9	2.8325	2.1558	1.0886	2.1538	2.7972	3.8717	2.4431	3.0506		1.7681	2.4138	3.0483
H10	3.3289	2.2028	1.0865	2.1841	3.2941	4.4806	2.7953	2.4523	1.7681		2.7495	2.4310
H11	3.1429	3.3019	2.2038	1.0854	2.0467	4.2090	4.1505	3.8659	2.4138	2.7495		1.7747
H12	2.8436	2.8090	2.1778	1.0909	2.0634	3.9271	3.8702	2.8509	3.0483	2.4310	1.7747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.110	C1	C2	H7	110.220
C1	C2	H8	107.535	C1	O5	C4	109.890
C2	C1	O5	109.002	C2	C1	O6	128.599
C2	C3	C4	101.032	C2	C3	H9	110.287
C2	C3	H10	114.259	C3	C2	H7	115.671
C3	C2	H8	111.707	C3	C4	O5	105.384
C3	C4	H11	114.132	C3	C4	H12	111.647
C4	C3	H9	109.871	C4	C3	H10	112.433
O5	C1	O6	122.399	O5	C4	H11	107.567
O5	C4	H12	108.567	H7	C2	H8	108.255
H9	C3	H10	108.759	H11	C4	H12	109.268

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

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

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