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	hartrees
Energy at 0K	-303.618674
Energy at 298.15K
HF Energy	-302.998993
Nuclear repulsion energy	236.946231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3184	11.38
2	A	3175	3175	16.78
3	A	3167	3167	8.57
4	A	3114	3114	12.44
5	A	3100	3100	4.05
6	A	3094	3094	32.43
7	A	1872	1872	248.69
8	A	1606	1606	1.07
9	A	1578	1578	5.82
10	A	1556	1556	9.54
11	A	1418	1418	3.07
12	A	1401	1401	0.34
13	A	1362	1362	5.40
14	A	1296	1296	9.11
15	A	1256	1256	3.55
16	A	1220	1220	3.51
17	A	1154	1154	170.31
18	A	1132	1132	66.21
19	A	1042	1042	36.34
20	A	1011	1011	28.49
21	A	934	934	2.24
22	A	908	908	23.26
23	A	893	893	10.28
24	A	781	781	8.30
25	A	685	685	6.70
26	A	638	638	3.46
27	A	536	536	3.20
28	A	486	486	2.97
29	A	212	212	4.13
30	A	140	140	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.903	0.002	0.006
C2	-0.024	1.223	0.190
C3	-1.407	0.682	-0.250
C4	-1.304	-0.822	0.144
O5	0.124	-1.164	-0.048
O6	2.114	-0.032	-0.077
H7	0.343	2.064	-0.400
H8	-0.028	1.502	1.252
H9	-1.512	0.771	-1.336
H10	-2.248	1.179	0.239
H11	-1.893	-1.483	-0.492
H12	-1.570	-0.971	1.196

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5444	2.4222	2.3599	1.4035	1.2136	2.1750	2.1608	2.8686	3.3722	3.2050	2.9122
C2	1.5444		1.5489	2.4121	2.4030	2.4931	1.0914	1.0975	2.1789	2.2246	3.3583	2.8657
C3	2.4222	1.5489		1.5577	2.4065	3.5966	2.2353	2.1979	1.0948	1.0923	2.2316	2.2023
C4	2.3599	2.4121	1.5577		1.4805	3.5146	3.3667	2.8727	2.1849	2.2144	1.0906	1.0955
O5	1.4035	2.4030	2.4065	1.4805		2.2898	3.2542	2.9696	2.8428	3.3462	2.0895	2.1106
O6	1.2136	2.4931	3.5966	3.5146	2.2898		2.7620	2.9502	3.9212	4.5376	4.2816	4.0092
H7	2.1750	1.0914	2.2353	3.3667	3.2542	2.7620		1.7839	2.4470	2.8115	4.1938	3.9265
H8	2.1608	1.0975	2.1979	2.8727	2.9696	2.9502	1.7839		3.0715	2.4616	3.9278	2.9145
H9	2.8686	2.1789	1.0948	2.1849	2.8428	3.9212	2.4470	3.0715		1.7855	2.4374	3.0747
H10	3.3722	2.2246	1.0923	2.2144	3.3462	4.5376	2.8115	2.4616	1.7855		2.7833	2.4494
H11	3.2050	3.3583	2.2316	1.0906	2.0895	4.2816	4.1938	3.9278	2.4374	2.7833		1.7938
H12	2.9122	2.8657	2.2023	1.0955	2.1106	4.0092	3.9265	2.9145	3.0747	2.4494	1.7938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.078	C1	C2	H7	110.017
C1	C2	H8	108.570	C1	O5	C4	109.793
C2	C1	O5	109.115	C2	C1	O6	128.971
C2	C3	C4	101.872	C2	C3	H9	109.815
C2	C3	H10	113.633	C3	C2	H7	114.571
C3	C2	H8	111.161	C3	C4	O5	104.730
C3	C4	H11	113.676	C3	C4	H12	111.010
C4	C3	H9	109.683	C4	C3	H10	112.165
O5	C1	O6	121.912	O5	C4	H11	107.750
O5	C4	H12	109.119	H7	C2	H8	109.174
H9	C3	H10	109.440	H11	C4	H12	110.281

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

using model chemistry: MP3=FULL/3-21G

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: MP3=FULL/3-21G

States and conformations

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