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	hartrees
Energy at 0K	-305.565710
Energy at 298.15K
HF Energy	-304.701025
Nuclear repulsion energy	240.314359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3210	3027	11.05
2	A	3204	3022	17.16
3	A	3194	3011	7.82
4	A	3135	2957	14.56
5	A	3122	2944	4.55
6	A	3116	2938	36.31
7	A	1875	1768	298.00
8	A	1586	1495	0.43
9	A	1557	1468	5.84
10	A	1527	1440	8.83
11	A	1431	1350	15.80
12	A	1386	1307	1.61
13	A	1348	1271	11.48
14	A	1291	1218	9.69
15	A	1254	1182	18.82
16	A	1226	1156	7.84
17	A	1205	1136	209.53
18	A	1127	1063	11.55
19	A	1094	1031	60.77
20	A	1035	976	27.32
21	A	971	916	4.73
22	A	925	872	10.37
23	A	904	853	19.63
24	A	826	779	7.43
25	A	684	645	4.37
26	A	646	609	3.61
27	A	533	502	3.20
28	A	489	461	3.37
29	A	232	218	3.06
30	A	155	146	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.884	-0.002	0.006
C2	-0.031	1.199	0.190
C3	-1.389	0.667	-0.250
C4	-1.275	-0.805	0.144
O5	0.118	-1.140	-0.048
O6	2.091	-0.028	-0.079
H7	0.348	2.050	-0.378
H8	-0.025	1.471	1.252
H9	-1.499	0.756	-1.335
H10	-2.239	1.163	0.225
H11	-1.861	-1.485	-0.477
H12	-1.530	-0.968	1.197

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5205	2.3831	2.3071	1.3726	1.2105	2.1556	2.1327	2.8375	3.3403	3.1566	2.8596
C2	1.5205		1.5237	2.3589	2.3559	2.4655	1.0911	1.0966	2.1625	2.2092	3.3160	2.8207
C3	2.3831	1.5237		1.5279	2.3622	3.5529	2.2241	2.1829	1.0940	1.0926	2.2148	2.1876
C4	2.3071	2.3589	1.5279		1.4460	3.4615	3.3251	2.8237	2.1617	2.1926	1.0911	1.0959
O5	1.3726	2.3559	2.3622	1.4460		2.2646	3.2157	2.9210	2.8052	3.3071	2.0541	2.0733
O6	1.2105	2.4655	3.5529	3.4615	2.2646		2.7289	2.9149	3.8833	4.5013	4.2303	3.9528
H7	2.1556	1.0911	2.2241	3.3251	3.2157	2.7289		1.7693	2.4497	2.8009	4.1696	3.8878
H8	2.1327	1.0966	2.1829	2.8237	2.9210	2.9149	1.7693		3.0622	2.4608	3.8859	2.8670
H9	2.8375	2.1625	1.0940	2.1617	2.8052	3.8833	2.4497	3.0622		1.7735	2.4272	3.0630
H10	3.3403	2.2092	1.0926	2.1926	3.3071	4.5013	2.8009	2.4608	1.7735		2.7650	2.4466
H11	3.1566	3.3160	2.2148	1.0911	2.0541	4.2303	4.1696	3.8859	2.4272	2.7650		1.7824
H12	2.8596	2.8207	2.1876	1.0959	2.0733	3.9528	3.8878	2.8670	3.0630	2.4466	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.041	C1	C2	H7	110.170
C1	C2	H8	108.059	C1	O5	C4	109.849
C2	C1	O5	108.934	C2	C1	O6	128.698
C2	C3	C4	101.255	C2	C3	H9	110.329
C2	C3	H10	114.208	C3	C2	H7	115.557
C3	C2	H8	111.797	C3	C4	O5	105.152
C3	C4	H11	114.461	C3	C4	H12	111.920
C4	C3	H9	109.974	C4	C3	H10	112.528
O5	C1	O6	122.368	O5	C4	H11	107.298
O5	C4	H12	108.518	H7	C2	H8	107.944
H9	C3	H10	108.397	H11	C4	H12	109.172

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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