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	hartrees
Energy at 0K	-306.012843
Energy at 298.15K	-306.006719
HF Energy	-304.702313
Nuclear repulsion energy	243.023788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3309	3309	38.88	84.50	0.43	0.60
2	A	3303	3303	14.19	73.54	0.70	0.82
3	A	3283	3283	23.17	88.19	0.28	0.43
4	A	3228	3228	31.70	156.17	0.14	0.25
5	A	3227	3227	41.51	26.60	0.73	0.84
6	A	3221	3221	11.33	75.84	0.21	0.34
7	A	2069	2069	558.64	9.63	0.49	0.66
8	A	1671	1671	0.65	8.50	0.67	0.80
9	A	1638	1638	6.14	9.78	0.75	0.86
10	A	1603	1603	7.97	11.18	0.75	0.86
11	A	1545	1545	40.54	1.87	0.60	0.75
12	A	1474	1474	8.50	0.57	0.70	0.82
13	A	1442	1442	25.55	1.91	0.66	0.79
14	A	1379	1379	23.22	12.06	0.74	0.85
15	A	1337	1337	49.00	8.90	0.75	0.86
16	A	1314	1314	182.47	1.76	0.71	0.83
17	A	1312	1312	36.94	1.05	0.57	0.73
18	A	1206	1206	32.96	1.67	0.74	0.85
19	A	1195	1195	81.62	1.94	0.75	0.86
20	A	1082	1082	7.95	6.38	0.72	0.84
21	A	1000	1000	7.05	8.55	0.12	0.21
22	A	970	970	10.47	1.70	0.46	0.63
23	A	953	953	9.51	7.97	0.12	0.21
24	A	877	877	6.43	5.47	0.18	0.30
25	A	740	740	10.46	3.21	0.47	0.64
26	A	696	696	6.46	2.09	0.70	0.82
27	A	582	582	7.49	1.70	0.74	0.85
28	A	533	533	6.89	1.72	0.49	0.66
29	A	217	217	3.00	0.08	0.74	0.85
30	A	153	153	0.89	0.46	0.73	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.881	-0.009	0.003
C2	-0.021	1.203	0.168
C3	-1.398	0.663	-0.217
C4	-1.248	-0.824	0.127
O5	0.129	-1.111	-0.044
O6	2.054	-0.030	-0.073
H7	0.340	2.027	-0.435
H8	0.021	1.508	1.212
H9	-1.568	0.785	-1.284
H10	-2.220	1.130	0.313
H11	-1.808	-1.485	-0.521
H12	-1.520	-1.031	1.159

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5195	2.3858	2.2831	1.3347	1.1758	2.1515	2.1222	2.8781	3.3185	3.1118	2.8540
C2	1.5195		1.5286	2.3696	2.3284	2.4255	1.0831	1.0886	2.1630	2.2057	3.3008	2.8671
C3	2.3858	1.5286		1.5329	2.3470	3.5237	2.2203	2.1842	1.0869	1.0847	2.2079	2.1859
C4	2.2831	2.3696	1.5329		1.4178	3.4022	3.3114	2.8678	2.1631	2.1903	1.0823	1.0869
O5	1.3347	2.3284	2.3470	1.4178		2.2075	3.1694	2.9065	2.8309	3.2669	2.0300	2.0426
O6	1.1758	2.4255	3.5237	3.4022	2.2075		2.7019	2.8550	3.9055	4.4460	4.1512	3.9105
H7	2.1515	1.0831	2.2203	3.3114	3.1694	2.7019		1.7561	2.4307	2.8143	4.1182	3.9183
H8	2.1222	1.0886	2.1842	2.8678	2.9065	2.8550	1.7561		3.0463	2.4444	3.9127	2.9706
H9	2.8781	2.1630	1.0869	2.1631	2.8309	3.9055	2.4307	3.0463		1.7591	2.4066	3.0441
H10	3.3185	2.2057	1.0847	2.1903	3.2669	4.4460	2.8143	2.4444	1.7591		2.7765	2.4247
H11	3.1118	3.3008	2.2079	1.0823	2.0300	4.1512	4.1182	3.9127	2.4066	2.7765		1.7641
H12	2.8540	2.8671	2.1859	1.0869	2.0426	3.9105	3.9183	2.9706	3.0441	2.4247	1.7641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.020	C1	C2	H7	110.396
C1	C2	H8	107.776	C1	O5	C4	112.059
C2	C1	O5	109.159	C2	C1	O6	127.841
C2	C3	C4	101.426	C2	C3	H9	110.442
C2	C3	H10	114.056	C3	C2	H7	115.393
C3	C2	H8	112.047	C3	C4	O5	105.323
C3	C4	H11	114.075	C3	C4	H12	111.978
C4	C3	H9	110.147	C4	C3	H10	112.464
O5	C1	O6	122.999	O5	C4	H11	107.824
O5	C4	H12	108.561	H7	C2	H8	107.927
H9	C3	H10	108.195	H11	C4	H12	108.826

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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