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	hartrees
Energy at 0K	-305.187833
Energy at 298.15K
HF Energy	-304.595836
Nuclear repulsion energy	233.421446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3176	3066	30.35
2	A	3150	3041	15.86
3	A	3136	3027	11.81
4	A	3079	2972	48.20
5	A	3069	2963	23.70
6	A	3061	2955	14.72
7	A	1678	1619	265.85
8	A	1548	1494	0.29
9	A	1530	1477	8.29
10	A	1509	1457	11.81
11	A	1387	1339	2.18
12	A	1380	1332	0.27
13	A	1343	1297	4.94
14	A	1258	1214	3.67
15	A	1230	1187	3.87
16	A	1179	1138	3.71
17	A	1126	1087	36.51
18	A	1092	1055	185.96
19	A	1041	1005	43.29
20	A	960	927	56.23
21	A	924	892	9.89
22	A	894	863	16.78
23	A	860	830	53.17
24	A	755	729	31.69
25	A	646	623	0.91
26	A	623	601	6.11
27	A	517	499	4.69
28	A	457	441	2.65
29	A	187	181	5.44
30	A	140	135	0.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.917	0.002	0.006
C2	-0.016	1.232	0.171
C3	-1.430	0.698	-0.223
C4	-1.341	-0.825	0.129
O5	0.117	-1.182	-0.044
O6	2.160	-0.038	-0.071
H7	0.346	2.059	-0.460
H8	0.022	1.554	1.228
H9	-1.600	0.828	-1.305
H10	-2.246	1.195	0.328
H11	-1.900	-1.481	-0.552
H12	-1.611	-1.033	1.178

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5522	2.4586	2.4078	1.4297	1.2465	2.1848	2.1680	2.9561	3.3954	3.2317	2.9717
C2	1.5522		1.5619	2.4475	2.4270	2.5309	1.1010	1.1054	2.2027	2.2359	3.3810	2.9474
C3	2.4586	1.5619		1.5662	2.4412	3.6681	2.2498	2.2232	1.1036	1.1026	2.2535	2.2343
C4	2.4078	2.4475	1.5662		1.5110	3.5944	3.3929	2.9534	2.2045	2.2225	1.0982	1.1026
O5	1.4297	2.4270	2.4412	1.5110		2.3421	3.2752	3.0183	2.9290	3.3720	2.1008	2.1215
O6	1.2465	2.5309	3.6681	3.5944	2.3421		2.7996	2.9650	4.0516	4.5926	4.3357	4.0949
H7	2.1848	1.1010	2.2498	3.3929	3.2752	2.7996		1.7911	2.4529	2.8434	4.1930	4.0087
H8	2.1680	1.1054	2.2232	2.9534	3.0183	2.9650	1.7911		3.0939	2.4655	4.0084	3.0588
H9	2.9561	2.2027	1.1036	2.2045	2.9290	4.0516	2.4529	3.0939		1.7943	2.4475	3.1036
H10	3.3954	2.2359	1.1026	2.2225	3.3720	4.5926	2.8434	2.4655	1.7943		2.8382	2.4677
H11	3.2317	3.3810	2.2535	1.0982	2.1008	4.3357	4.1930	4.0084	2.4475	2.8382		1.8105
H12	2.9717	2.9474	2.2343	1.1026	2.1215	4.0949	4.0087	3.0588	3.1036	2.4677	1.8105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.277	C1	C2	H7	109.690
C1	C2	H8	108.146	C1	O5	C4	109.899
C2	C1	O5	108.888	C2	C1	O6	129.133
C2	C3	C4	102.963	C2	C3	H9	110.270
C2	C3	H10	112.961	C3	C2	H7	114.197
C3	C2	H8	111.773	C3	C4	O5	104.982
C3	C4	H11	114.358	C3	C4	H12	112.525
C4	C3	H9	110.116	C4	C3	H10	111.588
O5	C1	O6	121.978	O5	C4	H11	106.173
O5	C4	H12	107.499	H7	C2	H8	108.539
H9	C3	H10	108.844	H11	C4	H12	110.700

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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