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	hartrees
Energy at 0K	-305.654007
Energy at 298.15K
HF Energy	-304.711504
Nuclear repulsion energy	240.432610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3216	3027	10.77
2	A	3204	3016	29.37
3	A	3194	3007	13.25
4	A	3137	2953	18.89
5	A	3131	2947	6.88
6	A	3118	2935	43.07
7	A	1905	1793	339.58
8	A	1585	1492	0.77
9	A	1555	1464	3.75
10	A	1526	1437	6.16
11	A	1440	1355	20.33
12	A	1392	1310	3.20
13	A	1355	1276	14.26
14	A	1292	1217	12.06
15	A	1258	1184	21.31
16	A	1228	1156	17.97
17	A	1219	1147	186.45
18	A	1128	1062	9.82
19	A	1101	1037	63.99
20	A	1034	973	18.07
21	A	964	908	5.05
22	A	922	868	9.58
23	A	902	850	16.97
24	A	826	778	6.05
25	A	689	648	5.60
26	A	647	609	3.80
27	A	534	503	4.76
28	A	491	463	4.31
29	A	223	210	2.86
30	A	152	143	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.885	-0.003	0.005
C2	-0.028	1.203	0.185
C3	-1.393	0.668	-0.242
C4	-1.273	-0.810	0.139
O5	0.121	-1.138	-0.047
O6	2.088	-0.029	-0.078
H7	0.344	2.046	-0.393
H8	-0.013	1.482	1.241
H9	-1.518	0.766	-1.321
H10	-2.235	1.156	0.247
H11	-1.855	-1.482	-0.489
H12	-1.535	-0.982	1.186

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5236	2.3878	2.3078	1.3692	1.2060	2.1563	2.1308	2.8503	3.3373	3.1521	2.8652
C2	1.5236		1.5271	2.3679	2.3574	2.4624	1.0872	1.0930	2.1628	2.2086	3.3166	2.8376
C3	2.3878	1.5271		1.5313	2.3647	3.5539	2.2224	2.1831	1.0911	1.0890	2.2126	2.1867
C4	2.3078	2.3679	1.5313		1.4436	3.4572	3.3249	2.8385	2.1625	2.1918	1.0877	1.0929
O5	1.3692	2.3574	2.3647	1.4436		2.2585	3.2104	2.9226	2.8167	3.3013	2.0531	2.0701
O6	1.2060	2.4624	3.5539	3.4572	2.2585		2.7283	2.9046	3.8958	4.4941	4.2217	3.9538
H7	2.1563	1.0872	2.2224	3.3249	3.2104	2.7283		1.7657	2.4423	2.8026	4.1577	3.8982
H8	2.1308	1.0930	2.1831	2.8385	2.9226	2.9046	1.7657		3.0565	2.4559	3.8947	2.8972
H9	2.8503	2.1628	1.0911	2.1625	2.8167	3.8958	2.4423	3.0565		1.7682	2.4204	3.0565
H10	3.3373	2.2086	1.0890	2.1918	3.3013	4.4941	2.8026	2.4559	1.7682		2.7648	2.4380
H11	3.1521	3.3166	2.2126	1.0877	2.0531	4.2217	4.1577	3.8947	2.4204	2.7648		1.7764
H12	2.8652	2.8376	2.1867	1.0929	2.0701	3.9538	3.8982	2.8972	3.0565	2.4380	1.7764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.021	C1	C2	H7	110.246
C1	C2	H8	107.912	C1	O5	C4	110.233
C2	C1	O5	109.048	C2	C1	O6	128.501
C2	C3	C4	101.469	C2	C3	H9	110.281
C2	C3	H10	114.136	C3	C2	H7	115.414
C3	C2	H8	111.794	C3	C4	O5	105.251
C3	C4	H11	114.239	C3	C4	H12	111.791
C4	C3	H9	109.965	C4	C3	H10	112.445
O5	C1	O6	122.450	O5	C4	H11	107.572
O5	C4	H12	108.610	H7	C2	H8	108.162
H9	C3	H10	108.403	H11	C4	H12	109.100

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

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

States and conformations

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