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	hartrees
Energy at 0K	-306.300399
Energy at 298.15K
HF Energy	-305.960845
Nuclear repulsion energy	240.779515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3163	3163	21.43
2	A	3159	3159	22.85
3	A	3143	3143	17.87
4	A	3090	3090	25.18
5	A	3080	3080	8.63
6	A	3076	3076	43.97
7	A	1863	1863	370.77
8	A	1559	1559	0.46
9	A	1530	1530	7.45
10	A	1499	1499	9.42
11	A	1418	1418	12.30
12	A	1367	1367	0.72
13	A	1328	1328	8.34
14	A	1283	1283	8.78
15	A	1239	1239	11.95
16	A	1220	1220	3.07
17	A	1175	1175	216.66
18	A	1115	1115	14.07
19	A	1073	1073	73.44
20	A	1020	1020	23.05
21	A	950	950	4.17
22	A	910	910	10.19
23	A	887	887	21.71
24	A	812	812	5.84
25	A	683	683	4.50
26	A	643	643	4.16
27	A	536	536	3.16
28	A	491	491	3.27
29	A	220	220	2.69
30	A	153	153	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.887	-0.003	0.004
C2	-0.029	1.203	0.177
C3	-1.398	0.666	-0.233
C4	-1.267	-0.814	0.137
O5	0.125	-1.135	-0.049
O6	2.082	-0.026	-0.074
H7	0.339	2.042	-0.409
H8	-0.003	1.496	1.231
H9	-1.539	0.771	-1.310
H10	-2.236	1.149	0.270
H11	-1.844	-1.486	-0.495
H12	-1.526	-0.997	1.183

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5238	2.3927	2.3061	1.3658	1.1974	2.1566	2.1318	2.8662	3.3390	3.1479	2.8642
C2	1.5238		1.5265	2.3668	2.3532	2.4556	1.0882	1.0942	2.1634	2.2093	3.3130	2.8447
C3	2.3927	1.5265		1.5311	2.3653	3.5516	2.2232	2.1858	1.0919	1.0899	2.2135	2.1884
C4	2.3061	2.3668	1.5311		1.4407	3.4470	3.3221	2.8515	2.1640	2.1925	1.0881	1.0933
O5	1.3658	2.3532	2.3653	1.4407		2.2491	3.2041	2.9284	2.8273	3.2996	2.0491	2.0646
O6	1.1974	2.4556	3.5516	3.4470	2.2491		2.7254	2.8929	3.9088	4.4879	4.2095	3.9420
H7	2.1566	1.0882	2.2232	3.3221	3.2041	2.7254		1.7623	2.4405	2.8091	4.1500	3.9055
H8	2.1318	1.0942	2.1858	2.8515	2.9284	2.8929	1.7623		3.0568	2.4552	3.9066	2.9219
H9	2.8662	2.1634	1.0919	2.1640	2.8273	3.9088	2.4405	3.0568		1.7680	2.4197	3.0574
H10	3.3390	2.2093	1.0899	2.1925	3.2996	4.4879	2.8091	2.4552	1.7680		2.7715	2.4377
H11	3.1479	3.3130	2.2135	1.0881	2.0491	4.2095	4.1500	3.9066	2.4197	2.7715		1.7768
H12	2.8642	2.8447	2.1884	1.0933	2.0646	3.9420	3.9055	2.9219	3.0574	2.4377	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.333	C1	C2	H7	110.193
C1	C2	H8	107.906	C1	O5	C4	110.483
C2	C1	O5	108.922	C2	C1	O6	128.545
C2	C3	C4	101.440	C2	C3	H9	110.327
C2	C3	H10	114.177	C3	C2	H7	115.464
C3	C2	H8	111.976	C3	C4	O5	105.447
C3	C4	H11	114.306	C3	C4	H12	111.913
C4	C3	H9	110.055	C4	C3	H10	112.456
O5	C1	O6	122.532	O5	C4	H11	107.433
O5	C4	H12	108.351	H7	C2	H8	107.709
H9	C3	H10	108.259	H11	C4	H12	109.084

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

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

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