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	hartrees
Energy at 0K	-305.642257
Energy at 298.15K
HF Energy	-304.712382
Nuclear repulsion energy	240.888834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3228	3027	10.21
2	A	3216	3016	26.85
3	A	3207	3007	12.92
4	A	3150	2954	17.81
5	A	3142	2946	6.15
6	A	3129	2934	42.05
7	A	1948	1827	357.64
8	A	1591	1491	0.63
9	A	1560	1462	4.24
10	A	1530	1434	6.69
11	A	1450	1360	25.67
12	A	1397	1310	4.18
13	A	1362	1277	17.93
14	A	1299	1218	16.01
15	A	1264	1185	36.76
16	A	1236	1159	171.84
17	A	1233	1156	27.34
18	A	1134	1064	17.24
19	A	1118	1048	58.75
20	A	1040	975	13.79
21	A	970	909	4.84
22	A	927	869	9.99
23	A	909	852	15.01
24	A	834	782	5.77
25	A	696	653	6.04
26	A	652	612	3.86
27	A	539	506	4.72
28	A	499	468	4.59
29	A	223	209	2.93
30	A	152	142	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.884	-0.004	0.005
C2	-0.027	1.202	0.183
C3	-1.392	0.667	-0.240
C4	-1.269	-0.811	0.138
O5	0.122	-1.135	-0.046
O6	2.082	-0.029	-0.078
H7	0.345	2.043	-0.396
H8	-0.010	1.483	1.239
H9	-1.520	0.767	-1.318
H10	-2.233	1.154	0.252
H11	-1.850	-1.481	-0.491
H12	-1.534	-0.985	1.183

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5219	2.3855	2.3023	1.3646	1.2011	2.1546	2.1289	2.8502	3.3333	3.1461	2.8623
C2	1.5219		1.5266	2.3661	2.3534	2.4554	1.0866	1.0923	2.1621	2.2074	3.3135	2.8383
C3	2.3855	1.5266		1.5308	2.3617	3.5466	2.2219	2.1822	1.0904	1.0882	2.2108	2.1854
C4	2.3023	2.3661	1.5308		1.4394	3.4470	3.3221	2.8385	2.1619	2.1912	1.0873	1.0924
O5	1.3646	2.3534	2.3617	1.4394		2.2507	3.2052	2.9194	2.8161	3.2967	2.0502	2.0674
O6	1.2011	2.4554	3.5466	3.4470	2.2507		2.7221	2.8974	3.8915	4.4853	4.2112	3.9463
H7	2.1546	1.0866	2.2219	3.3221	3.2052	2.7221		1.7643	2.4411	2.8028	4.1530	3.8980
H8	2.1289	1.0923	2.1822	2.8385	2.9194	2.8974	1.7643		3.0546	2.4537	3.8936	2.9007
H9	2.8502	2.1621	1.0904	2.1619	2.8161	3.8915	2.4411	3.0546		1.7669	2.4180	3.0542
H10	3.3333	2.2074	1.0882	2.1912	3.2967	4.4853	2.8028	2.4537	1.7669		2.7639	2.4352
H11	3.1461	3.3135	2.2108	1.0873	2.0502	4.2112	4.1530	3.8936	2.4180	2.7639		1.7745
H12	2.8623	2.8383	2.1854	1.0924	2.0674	3.9463	3.8980	2.9007	3.0542	2.4352	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.984	C1	C2	H7	110.266
C1	C2	H8	107.921	C1	O5	C4	110.359
C2	C1	O5	109.117	C2	C1	O6	128.386
C2	C3	C4	101.408	C2	C3	H9	110.300
C2	C3	H10	114.125	C3	C2	H7	115.447
C3	C2	H8	111.796	C3	C4	O5	105.296
C3	C4	H11	114.153	C3	C4	H12	111.752
C4	C3	H9	109.993	C4	C3	H10	112.481
O5	C1	O6	122.496	O5	C4	H11	107.659
O5	C4	H12	108.720	H7	C2	H8	108.136
H9	C3	H10	108.391	H11	C4	H12	109.006

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)