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	hartrees
Energy at 0K	-305.650676
Energy at 298.15K
HF Energy	-304.711878
Nuclear repulsion energy	240.619743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3219	3002	10.17
2	A	3207	2991	28.90
3	A	3197	2982	13.02
4	A	3140	2929	18.50
5	A	3134	2922	6.53
6	A	3121	2911	42.36
7	A	1923	1793	348.19
8	A	1586	1479	0.69
9	A	1556	1451	3.93
10	A	1527	1424	6.35
11	A	1443	1346	23.15
12	A	1393	1299	3.73
13	A	1357	1266	15.80
14	A	1294	1207	13.88
15	A	1260	1175	26.40
16	A	1230	1147	46.24
17	A	1226	1143	155.54
18	A	1130	1054	10.69
19	A	1107	1033	64.35
20	A	1036	966	16.19
21	A	966	901	4.97
22	A	924	861	9.90
23	A	905	844	15.73
24	A	829	774	5.83
25	A	692	645	5.91
26	A	649	605	3.79
27	A	537	500	4.73
28	A	494	461	4.46
29	A	223	208	2.89
30	A	152	142	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.884	-0.004	0.005
C2	-0.027	1.203	0.184
C3	-1.393	0.668	-0.241
C4	-1.272	-0.810	0.139
O5	0.121	-1.137	-0.047
O6	2.085	-0.029	-0.078
H7	0.345	2.045	-0.394
H8	-0.012	1.482	1.241
H9	-1.518	0.766	-1.320
H10	-2.234	1.156	0.248
H11	-1.853	-1.481	-0.489
H12	-1.535	-0.983	1.185

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5227	2.3867	2.3055	1.3671	1.2040	2.1556	2.1299	2.8497	3.3357	3.1497	2.8637
C2	1.5227		1.5270	2.3671	2.3557	2.4591	1.0870	1.0928	2.1626	2.2082	3.3154	2.8374
C3	2.3867	1.5270		1.5310	2.3635	3.5506	2.2224	2.1828	1.0909	1.0888	2.2119	2.1861
C4	2.3055	2.3671	1.5310		1.4422	3.4532	3.3239	2.8380	2.1622	2.1916	1.0876	1.0927
O5	1.3671	2.3557	2.3635	1.4422		2.2554	3.2083	2.9210	2.8161	3.2998	2.0522	2.0693
O6	1.2040	2.4591	3.5506	3.4532	2.2554		2.7251	2.9015	3.8932	4.4904	4.2176	3.9507
H7	2.1556	1.0870	2.2224	3.3239	3.2083	2.7251		1.7653	2.4421	2.8026	4.1562	3.8977
H8	2.1299	1.0928	2.1828	2.8380	2.9210	2.9015	1.7653		3.0560	2.4552	3.8938	2.8974
H9	2.8497	2.1626	1.0909	2.1622	2.8161	3.8932	2.4421	3.0560		1.7679	2.4197	3.0557
H10	3.3357	2.2082	1.0888	2.1916	3.2998	4.4904	2.8026	2.4552	1.7679		2.7646	2.4371
H11	3.1497	3.3154	2.2119	1.0876	2.0522	4.2176	4.1562	3.8938	2.4197	2.7646		1.7758
H12	2.8637	2.8374	2.1861	1.0927	2.0693	3.9507	3.8977	2.8974	3.0557	2.4371	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.996	C1	C2	H7	110.254
C1	C2	H8	107.916	C1	O5	C4	110.273
C2	C1	O5	109.089	C2	C1	O6	128.426
C2	C3	C4	101.439	C2	C3	H9	110.287
C2	C3	H10	114.127	C3	C2	H7	115.431
C3	C2	H8	111.790	C3	C4	O5	105.256
C3	C4	H11	114.215	C3	C4	H12	111.775
C4	C3	H9	109.975	C4	C3	H10	112.464
O5	C1	O6	122.484	O5	C4	H11	107.602
O5	C4	H12	108.649	H7	C2	H8	108.163
H9	C3	H10	108.406	H11	C4	H12	109.074

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

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

States and conformations

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