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	hartrees
Energy at 0K	-305.590923
Energy at 298.15K
HF Energy	-304.701332
Nuclear repulsion energy	240.565135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3211	3025	10.59
2	A	3205	3020	17.22
3	A	3195	3010	7.86
4	A	3136	2955	14.46
5	A	3123	2942	4.49
6	A	3116	2936	36.18
7	A	1881	1772	299.57
8	A	1586	1495	0.44
9	A	1558	1468	6.00
10	A	1528	1439	9.10
11	A	1433	1350	15.64
12	A	1388	1307	1.54
13	A	1350	1272	11.40
14	A	1294	1219	9.92
15	A	1256	1183	19.18
16	A	1228	1157	7.07
17	A	1208	1138	210.67
18	A	1129	1063	11.70
19	A	1096	1033	60.87
20	A	1036	977	26.90
21	A	973	917	4.62
22	A	926	873	10.62
23	A	906	853	19.24
24	A	827	779	7.37
25	A	686	646	4.39
26	A	648	610	3.59
27	A	535	504	3.14
28	A	490	462	3.37
29	A	233	220	3.04
30	A	156	147	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.883	-0.002	0.006
C2	-0.031	1.197	0.191
C3	-1.387	0.666	-0.251
C4	-1.274	-0.803	0.144
O5	0.118	-1.139	-0.048
O6	2.089	-0.028	-0.080
H7	0.348	2.050	-0.374
H8	-0.026	1.467	1.253
H9	-1.494	0.755	-1.336
H10	-2.238	1.163	0.221
H11	-1.860	-1.484	-0.475
H12	-1.529	-0.965	1.197

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5187	2.3801	2.3044	1.3710	1.2095	2.1543	2.1307	2.8326	3.3379	3.1542	2.8566
C2	1.5187		1.5220	2.3556	2.3527	2.4630	1.0908	1.0964	2.1607	2.2078	3.3132	2.8160
C3	2.3801	1.5220		1.5261	2.3591	3.5486	2.2227	2.1807	1.0937	1.0923	2.2132	2.1855
C4	2.3044	2.3556	1.5261		1.4442	3.4579	3.3226	2.8180	2.1598	2.1912	1.0907	1.0957
O5	1.3710	2.3527	2.3591	1.4442		2.2626	3.2136	2.9160	2.8007	3.3045	2.0527	2.0717
O6	1.2095	2.4630	3.5486	3.4579	2.2626		2.7264	2.9130	3.8766	4.4977	4.2271	3.9492
H7	2.1543	1.0908	2.2227	3.3226	3.2136	2.7264		1.7687	2.4492	2.7983	4.1683	3.8831
H8	2.1307	1.0964	2.1807	2.8180	2.9160	2.9130	1.7687		3.0605	2.4597	3.8803	2.8588
H9	2.8326	2.1607	1.0937	2.1598	2.8007	3.8766	2.4492	3.0605		1.7729	2.4261	3.0612
H10	3.3379	2.2078	1.0923	2.1912	3.3045	4.4977	2.7983	2.4597	1.7729		2.7626	2.4453
H11	3.1542	3.3132	2.2132	1.0907	2.0527	4.2271	4.1683	3.8803	2.4261	2.7626		1.7817
H12	2.8566	2.8160	2.1855	1.0957	2.0717	3.9492	3.8831	2.8588	3.0612	2.4453	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.024	C1	C2	H7	110.212
C1	C2	H8	108.038	C1	O5	C4	109.858
C2	C1	O5	108.906	C2	C1	O6	128.698
C2	C3	C4	101.215	C2	C3	H9	110.321
C2	C3	H10	114.237	C3	C2	H7	115.594
C3	C2	H8	111.760	C3	C4	O5	105.133
C3	C4	H11	114.478	C3	C4	H12	111.893
C4	C3	H9	109.962	C4	C3	H10	112.559
O5	C1	O6	122.395	O5	C4	H11	107.329
O5	C4	H12	108.533	H7	C2	H8	107.938
H9	C3	H10	108.395	H11	C4	H12	109.158

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

using model chemistry: MP2=FULL/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=FULL/6-31G*

States and conformations

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