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	hartrees
Energy at 0K	-57.738378
Energy at 298.15K
HF Energy	-56.860363
Nuclear repulsion energy	129.381647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3039	21.49
2	A	3185	3035	18.45
3	A	3170	3020	12.90
4	A	3103	2957	20.89
5	A	3096	2949	9.01
6	A	3090	2944	46.00
7	A	1809	1724	344.28
8	A	1562	1488	0.24
9	A	1535	1463	7.62
10	A	1506	1435	10.02
11	A	1414	1348	14.29
12	A	1367	1302	1.47
13	A	1331	1268	16.10
14	A	1273	1213	8.60
15	A	1234	1175	20.18
16	A	1209	1152	5.67
17	A	1181	1125	215.52
18	A	1109	1056	18.85
19	A	1077	1026	65.14
20	A	1017	969	27.16
21	A	954	909	4.61
22	A	904	861	12.60
23	A	883	841	22.97
24	A	808	770	7.81
25	A	669	638	3.76
26	A	631	601	3.20
27	A	522	497	3.17
28	A	482	459	2.85
29	A	230	220	3.26
30	A	151	144	0.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.888	0.001	0.008
C2	-0.036	1.209	0.192
C3	-1.400	0.669	-0.255
C4	-1.281	-0.811	0.147
O5	0.123	-1.148	-0.051
O6	2.103	-0.024	-0.080
H7	0.345	2.059	-0.376
H8	-0.033	1.473	1.257
H9	-1.505	0.753	-1.342
H10	-2.252	1.161	0.223
H11	-1.863	-1.498	-0.471
H12	-1.527	-0.968	1.205

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5322	2.3985	2.3201	1.3818	1.2183	2.1633	2.1392	2.8484	3.3549	3.1691	2.8642
C2	1.5322		1.5337	2.3731	2.3750	2.4841	1.0917	1.0975	2.1720	2.2169	3.3321	2.8260
C3	2.3985	1.5337		1.5384	2.3800	3.5756	2.2351	2.1915	1.0951	1.0937	2.2263	2.1970
C4	2.3201	2.3731	1.5384		1.4571	3.4814	3.3404	2.8295	2.1712	2.1999	1.0920	1.0973
O5	1.3818	2.3750	2.3800	1.4571		2.2770	3.2318	2.9335	2.8163	3.3242	2.0596	2.0811
O6	1.2183	2.4841	3.5756	3.4814	2.2770		2.7422	2.9310	3.9006	4.5240	4.2489	3.9642
H7	2.1633	1.0917	2.2351	3.3404	3.2318	2.7422		1.7763	2.4622	2.8132	4.1881	3.8948
H8	2.1392	1.0975	2.1915	2.8295	2.9335	2.9310	1.7763		3.0724	2.4685	3.8936	2.8621
H9	2.8484	2.1720	1.0951	2.1712	2.8163	3.9006	2.4622	3.0724		1.7813	2.4401	3.0738
H10	3.3549	2.2169	1.0937	2.1999	3.3242	4.5240	2.8132	2.4685	1.7813		2.7755	2.4544
H11	3.1691	3.3321	2.2263	1.0920	2.0596	4.2489	4.1881	3.8936	2.4401	2.7755		1.7895
H12	2.8642	2.8260	2.1970	1.0973	2.0811	3.9642	3.8948	2.8621	3.0738	2.4544	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.944	C1	C2	H7	109.930
C1	C2	H8	107.729	C1	O5	C4	109.591
C2	C1	O5	109.068	C2	C1	O6	128.792
C2	C3	C4	101.151	C2	C3	H9	110.308
C2	C3	H10	114.033	C3	C2	H7	115.687
C3	C2	H8	111.724	C3	C4	O5	105.187
C3	C4	H11	114.570	C3	C4	H12	111.838
C4	C3	H9	109.916	C4	C3	H10	112.288
O5	C1	O6	122.140	O5	C4	H11	106.923
O5	C4	H12	108.291	H7	C2	H8	108.469
H9	C3	H10	108.940	H11	C4	H12	109.646

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)