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	hartrees
Energy at 0K	-305.667377
Energy at 298.15K
HF Energy	-304.718792
Nuclear repulsion energy	240.352063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3212	2999	10.63
2	A	3206	2994	21.05
3	A	3189	2978	16.31
4	A	3131	2923	20.84
5	A	3126	2919	6.38
6	A	3121	2914	39.11
7	A	1887	1762	413.66
8	A	1578	1473	0.46
9	A	1547	1445	5.23
10	A	1518	1417	6.97
11	A	1437	1342	21.83
12	A	1387	1295	2.78
13	A	1352	1262	15.45
14	A	1288	1202	15.66
15	A	1252	1169	19.31
16	A	1224	1143	51.77
17	A	1218	1137	169.11
18	A	1126	1052	9.61
19	A	1099	1026	68.43
20	A	1032	963	20.17
21	A	962	899	5.84
22	A	920	859	9.79
23	A	902	842	19.64
24	A	827	772	6.71
25	A	688	643	5.17
26	A	651	608	3.80
27	A	538	502	5.13
28	A	492	460	4.03
29	A	219	205	3.29
30	A	149	139	0.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.884	-0.005	0.005
C2	-0.025	1.204	0.180
C3	-1.396	0.670	-0.236
C4	-1.276	-0.811	0.138
O5	0.121	-1.137	-0.049
O6	2.088	-0.030	-0.075
H7	0.347	2.040	-0.408
H8	-0.001	1.491	1.234
H9	-1.534	0.773	-1.314
H10	-2.231	1.157	0.266
H11	-1.852	-1.482	-0.495
H12	-1.533	-0.991	1.185

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5221	2.3894	2.3094	1.3666	1.2071	2.1540	2.1289	2.8615	3.3345	3.1491	2.8648
C2	1.5221		1.5288	2.3718	2.3568	2.4599	1.0876	1.0933	2.1662	2.2081	3.3175	2.8465
C3	2.3894	1.5288		1.5315	2.3666	3.5570	2.2233	2.1868	1.0916	1.0895	2.2144	2.1898
C4	2.3094	2.3718	1.5315		1.4472	3.4603	3.3253	2.8506	2.1641	2.1907	1.0874	1.0926
O5	1.3666	2.3568	2.3666	1.4472		2.2575	3.2054	2.9276	2.8264	3.3008	2.0521	2.0689
O6	1.2071	2.4599	3.5570	3.4603	2.2575		2.7253	2.8965	3.9113	4.4919	4.2202	3.9526
H7	2.1540	1.0876	2.2233	3.3253	3.2054	2.7253		1.7665	2.4413	2.8067	4.1526	3.9062
H8	2.1289	1.0933	2.1868	2.8506	2.9276	2.8965	1.7665		3.0591	2.4539	3.9057	2.9175
H9	2.8615	2.1662	1.0916	2.1641	2.8264	3.9113	2.4413	3.0591		1.7690	2.4202	3.0587
H10	3.3345	2.2081	1.0895	2.1907	3.3008	4.4919	2.8067	2.4539	1.7690		2.7722	2.4382
H11	3.1491	3.3175	2.2144	1.0874	2.0521	4.2202	4.1526	3.9057	2.4202	2.7722		1.7784
H12	2.8648	2.8465	2.1898	1.0926	2.0689	3.9526	3.9062	2.9175	3.0587	2.4382	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.101	C1	C2	H7	110.136
C1	C2	H8	107.842	C1	O5	C4	110.285
C2	C1	O5	109.231	C2	C1	O6	128.288
C2	C3	C4	101.615	C2	C3	H9	110.406
C2	C3	H10	113.935	C3	C2	H7	115.335
C3	C2	H8	111.948	C3	C4	O5	105.184
C3	C4	H11	114.393	C3	C4	H12	112.039
C4	C3	H9	110.047	C4	C3	H10	112.309
O5	C1	O6	122.480	O5	C4	H11	107.264
O5	C4	H12	108.287	H7	C2	H8	108.181
H9	C3	H10	108.403	H11	C4	H12	109.324

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

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

States and conformations

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