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	hartrees
Energy at 0K	-305.653308
Energy at 298.15K
HF Energy	-304.719745
Nuclear repulsion energy	240.848611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3239	3014	9.21
2	A	3233	3008	21.11
3	A	3219	2995	13.92
4	A	3159	2940	19.35
5	A	3152	2933	5.84
6	A	3147	2928	37.98
7	A	1928	1794	440.80
8	A	1585	1475	0.53
9	A	1553	1445	5.90
10	A	1522	1417	7.66
11	A	1447	1347	26.99
12	A	1390	1294	3.68
13	A	1356	1262	18.65
14	A	1295	1205	19.37
15	A	1257	1170	32.26
16	A	1233	1147	188.90
17	A	1229	1143	24.81
18	A	1131	1053	15.70
19	A	1114	1037	64.95
20	A	1039	966	15.73
21	A	967	900	5.27
22	A	925	860	10.28
23	A	908	845	16.49
24	A	835	777	5.84
25	A	697	649	5.79
26	A	656	610	3.95
27	A	542	504	5.07
28	A	499	464	4.52
29	A	219	203	3.22
30	A	150	139	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.882	-0.005	0.004
C2	-0.024	1.203	0.178
C3	-1.396	0.668	-0.234
C4	-1.271	-0.813	0.137
O5	0.124	-1.134	-0.048
O6	2.082	-0.029	-0.074
H7	0.346	2.037	-0.411
H8	0.002	1.492	1.231
H9	-1.538	0.774	-1.309
H10	-2.228	1.152	0.273
H11	-1.844	-1.481	-0.498
H12	-1.530	-0.995	1.181

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5208	2.3875	2.3035	1.3613	1.2020	2.1514	2.1258	2.8615	3.3293	3.1414	2.8610
C2	1.5208		1.5285	2.3705	2.3530	2.4532	1.0858	1.0916	2.1645	2.2062	3.3133	2.8473
C3	2.3875	1.5285		1.5316	2.3644	3.5501	2.2223	2.1852	1.0897	1.0874	2.2119	2.1875
C4	2.3035	2.3705	1.5316		1.4428	3.4492	3.3216	2.8505	2.1629	2.1892	1.0858	1.0910
O5	1.3613	2.3530	2.3644	1.4428		2.2484	3.1990	2.9231	2.8264	3.2949	2.0484	2.0651
O6	1.2020	2.4532	3.5501	3.4492	2.2484		2.7187	2.8880	3.9074	4.4818	4.2075	3.9439
H7	2.1514	1.0858	2.2223	3.3216	3.1990	2.7187		1.7639	2.4391	2.8068	4.1454	3.9049
H8	2.1258	1.0916	2.1852	2.8505	2.9231	2.8880	1.7639		3.0551	2.4505	3.9032	2.9215
H9	2.8615	2.1645	1.0897	2.1629	2.8264	3.9074	2.4391	3.0551		1.7665	2.4164	3.0541
H10	3.3293	2.2062	1.0874	2.1892	3.2949	4.4818	2.8068	2.4505	1.7665		2.7701	2.4331
H11	3.1414	3.3133	2.2119	1.0858	2.0484	4.2075	4.1454	3.9032	2.4164	2.7701		1.7752
H12	2.8610	2.8473	2.1875	1.0910	2.0651	3.9439	3.9049	2.9215	3.0541	2.4331	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.062	C1	C2	H7	110.129
C1	C2	H8	107.790	C1	O5	C4	110.428
C2	C1	O5	109.329	C2	C1	O6	128.190
C2	C3	C4	101.550	C2	C3	H9	110.401
C2	C3	H10	113.927	C3	C2	H7	115.396
C3	C2	H8	111.943	C3	C4	O5	105.259
C3	C4	H11	114.282	C3	C4	H12	111.955
C4	C3	H9	110.060	C4	C3	H10	112.310
O5	C1	O6	122.480	O5	C4	H11	107.367
O5	C4	H12	108.382	H7	C2	H8	108.211
H9	C3	H10	108.459	H11	C4	H12	109.272

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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