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	hartrees
Energy at 0K	-305.662214
Energy at 298.15K
HF Energy	-304.724383
Nuclear repulsion energy	240.322063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3183	3045	8.31
2	A	3168	3031	24.89
3	A	3160	3024	16.91
4	A	3100	2966	17.39
5	A	3095	2961	7.49
6	A	3074	2941	45.31
7	A	1947	1862	376.92
8	A	1532	1466	0.66
9	A	1500	1435	7.45
10	A	1467	1404	8.66
11	A	1422	1361	32.17
12	A	1362	1303	7.55
13	A	1328	1270	27.24
14	A	1274	1219	14.92
15	A	1237	1183	60.60
16	A	1213	1161	149.01
17	A	1209	1156	2.83
18	A	1122	1074	75.64
19	A	1104	1056	6.64
20	A	1023	978	11.05
21	A	961	919	3.36
22	A	910	871	13.90
23	A	893	855	11.98
24	A	826	791	4.91
25	A	694	664	5.33
26	A	643	615	3.30
27	A	536	513	3.20
28	A	500	478	4.31
29	A	228	219	2.60
30	A	152	146	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.886	-0.003	0.006
C2	-0.032	1.208	0.188
C3	-1.397	0.665	-0.248
C4	-1.260	-0.816	0.143
O5	0.126	-1.136	-0.049
O6	2.080	-0.025	-0.080
H7	0.348	2.066	-0.385
H8	-0.023	1.479	1.260
H9	-1.513	0.755	-1.343
H10	-2.258	1.153	0.237
H11	-1.856	-1.501	-0.479
H12	-1.523	-0.979	1.206

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5298	2.3921	2.2985	1.3652	1.1974	2.1736	2.1438	2.8542	3.3571	3.1616	2.8627
C2	1.5298		1.5330	2.3677	2.3611	2.4594	1.0999	1.1061	2.1777	2.2272	3.3332	2.8361
C3	2.3921	1.5330		1.5377	2.3672	3.5488	2.2421	2.1969	1.1045	1.1015	2.2258	2.1984
C4	2.2985	2.3677	1.5377		1.4356	3.4393	3.3421	2.8362	2.1775	2.2094	1.1007	1.1068
O5	1.3652	2.3611	2.3672	1.4356		2.2477	3.2275	2.9284	2.8174	3.3174	2.0608	2.0784
O6	1.1974	2.4594	3.5488	3.4393	2.2477		2.7326	2.9118	3.8873	4.5056	4.2224	3.9425
H7	2.1736	1.0999	2.2421	3.3421	3.2275	2.7326		1.7864	2.4689	2.8296	4.1939	3.9123
H8	2.1438	1.1061	2.1969	2.8362	2.9284	2.9118	1.7864		3.0854	2.4795	3.9069	2.8802
H9	2.8542	2.1777	1.1045	2.1775	2.8174	3.8873	2.4689	3.0854		1.7907	2.4404	3.0830
H10	3.3571	2.2272	1.1015	2.2094	3.3174	4.5056	2.8296	2.4795	1.7907		2.7780	2.4551
H11	3.1616	3.3332	2.2258	1.1007	2.0608	4.2224	4.1939	3.9069	2.4404	2.7780		1.7947
H12	2.8627	2.8361	2.1984	1.1068	2.0784	3.9425	3.9123	2.8802	3.0830	2.4551	1.7947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.705	C1	C2	H7	110.425
C1	C2	H8	107.754	C1	O5	C4	110.279
C2	C1	O5	109.157	C2	C1	O6	128.379
C2	C3	C4	100.897	C2	C3	H9	110.255
C2	C3	H10	114.437	C3	C2	H7	115.787
C3	C2	H8	111.683	C3	C4	O5	105.479
C3	C4	H11	114.024	C3	C4	H12	111.425
C4	C3	H9	109.909	C4	C3	H10	112.629
O5	C1	O6	122.464	O5	C4	H11	107.955
O5	C4	H12	108.985	H7	C2	H8	108.158
H9	C3	H10	108.527	H11	C4	H12	108.781

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

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