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	hartrees
Energy at 0K	-305.593383
Energy at 298.15K
HF Energy	-304.702424
Nuclear repulsion energy	240.610533

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3181	3011	9.01
2	A	3173	3003	24.18
3	A	3162	2993	11.01
4	A	3108	2942	16.72
5	A	3099	2933	4.94
6	A	3091	2925	37.35
7	A	1946	1841	360.34
8	A	1583	1498	0.37
9	A	1554	1471	6.20
10	A	1525	1443	8.64
11	A	1442	1364	25.51
12	A	1389	1315	2.93
13	A	1356	1284	18.17
14	A	1293	1224	19.40
15	A	1260	1193	40.97
16	A	1236	1170	187.78
17	A	1230	1165	5.72
18	A	1134	1074	15.11
19	A	1117	1058	61.45
20	A	1040	984	15.67
21	A	970	918	4.68
22	A	926	876	9.28
23	A	909	861	14.73
24	A	835	790	6.24
25	A	696	659	6.02
26	A	653	619	4.28
27	A	540	511	4.27
28	A	499	472	4.51
29	A	222	210	3.12
30	A	151	143	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.884	-0.004	0.005
C2	-0.026	1.203	0.182
C3	-1.394	0.667	-0.238
C4	-1.269	-0.812	0.138
O5	0.123	-1.135	-0.048
O6	2.082	-0.029	-0.076
H7	0.348	2.047	-0.404
H8	-0.006	1.493	1.241
H9	-1.529	0.770	-1.321
H10	-2.237	1.157	0.260
H11	-1.851	-1.487	-0.494
H12	-1.533	-0.992	1.189

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5217	2.3872	2.3033	1.3641	1.2017	2.1588	2.1352	2.8597	3.3396	3.1507	2.8664
C2	1.5217		1.5279	2.3680	2.3539	2.4556	1.0929	1.0984	2.1686	2.2132	3.3203	2.8464
C3	2.3872	1.5279		1.5318	2.3636	3.5494	2.2280	2.1897	1.0963	1.0944	2.2176	2.1928
C4	2.3033	2.3680	1.5318		1.4410	3.4484	3.3288	2.8501	2.1684	2.1974	1.0931	1.0980
O5	1.3641	2.3539	2.3636	1.4410		2.2503	3.2095	2.9297	2.8247	3.3041	2.0539	2.0716
O6	1.2017	2.4556	3.5494	3.4484	2.2503		2.7250	2.9004	3.9024	4.4921	4.2156	3.9493
H7	2.1588	1.0929	2.2280	3.3288	3.2095	2.7250		1.7713	2.4476	2.8134	4.1631	3.9123
H8	2.1352	1.0984	2.1897	2.8501	2.9297	2.9004	1.7713		3.0666	2.4606	3.9109	2.9166
H9	2.8597	2.1686	1.0963	2.1684	2.8247	3.9024	2.4476	3.0666		1.7749	2.4259	3.0669
H10	3.3396	2.2132	1.0944	2.1974	3.3041	4.4921	2.8134	2.4606	1.7749		2.7766	2.4446
H11	3.1507	3.3203	2.2176	1.0931	2.0539	4.2156	4.1631	3.9109	2.4259	2.7766		1.7834
H12	2.8664	2.8464	2.1928	1.0980	2.0716	3.9493	3.9123	2.9166	3.0669	2.4446	1.7834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.034	C1	C2	H7	110.230
C1	C2	H8	108.069	C1	O5	C4	110.362
C2	C1	O5	109.189	C2	C1	O6	128.368
C2	C3	C4	101.416	C2	C3	H9	110.372
C2	C3	H10	114.102	C3	C2	H7	115.450
C3	C2	H8	111.934	C3	C4	O5	105.283
C3	C4	H11	114.272	C3	C4	H12	111.932
C4	C3	H9	110.084	C4	C3	H10	112.521
O5	C1	O6	122.442	O5	C4	H11	107.503
O5	C4	H12	108.604	H7	C2	H8	107.864
H9	C3	H10	108.226	H11	C4	H12	108.966

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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