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	hartrees
Energy at 0K	-306.204690
Energy at 298.15K
HF Energy	-305.898457
Nuclear repulsion energy	240.426071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3189	9.96
2	A	3178	3178	26.18
3	A	3169	3169	12.51
4	A	3115	3115	19.29
5	A	3104	3104	5.95
6	A	3092	3092	42.68
7	A	1881	1881	337.81
8	A	1562	1562	0.52
9	A	1534	1534	4.39
10	A	1502	1502	7.01
11	A	1421	1421	18.10
12	A	1372	1372	2.51
13	A	1332	1332	9.75
14	A	1278	1278	8.47
15	A	1240	1240	15.46
16	A	1215	1215	4.22
17	A	1190	1190	208.41
18	A	1113	1113	9.22
19	A	1078	1078	67.98
20	A	1023	1023	20.50
21	A	952	952	4.54
22	A	911	911	9.76
23	A	890	890	16.72
24	A	815	815	5.13
25	A	684	684	4.66
26	A	643	643	4.34
27	A	533	533	3.56
28	A	487	487	3.53
29	A	217	217	2.44
30	A	154	154	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.886	-0.002	0.004
C2	-0.028	1.204	0.178
C3	-1.397	0.668	-0.232
C4	-1.272	-0.814	0.134
O5	0.122	-1.136	-0.045
O6	2.088	-0.029	-0.075
H7	0.340	2.042	-0.410
H8	-0.002	1.495	1.232
H9	-1.540	0.777	-1.309
H10	-2.234	1.151	0.273
H11	-1.849	-1.481	-0.504
H12	-1.539	-1.000	1.178

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5230	2.3919	2.3091	1.3682	1.2048	2.1561	2.1302	2.8662	3.3371	3.1504	2.8732
C2	1.5230		1.5268	2.3705	2.3554	2.4617	1.0879	1.0937	2.1630	2.2088	3.3147	2.8532
C3	2.3919	1.5268		1.5319	2.3668	3.5582	2.2222	2.1852	1.0914	1.0894	2.2127	2.1889
C4	2.3091	2.3705	1.5319		1.4421	3.4565	3.3241	2.8548	2.1639	2.1918	1.0885	1.0935
O5	1.3682	2.3554	2.3668	1.4421		2.2564	3.2066	2.9278	2.8315	3.2990	2.0531	2.0677
O6	1.2048	2.4617	3.5582	3.4565	2.2564		2.7306	2.8979	3.9155	4.4936	4.2181	3.9585
H7	2.1561	1.0879	2.2222	3.3241	3.2066	2.7306		1.7634	2.4380	2.8082	4.1486	3.9124
H8	2.1302	1.0937	2.1852	2.8548	2.9278	2.8979	1.7634		3.0555	2.4539	3.9091	2.9316
H9	2.8662	2.1630	1.0914	2.1639	2.8315	3.9155	2.4380	3.0555		1.7672	2.4163	3.0560
H10	3.3371	2.2088	1.0894	2.1918	3.2990	4.4936	2.8082	2.4539	1.7672		2.7703	2.4346
H11	3.1504	3.3147	2.2127	1.0885	2.0531	4.2181	4.1486	3.9091	2.4163	2.7703		1.7761
H12	2.8732	2.8532	2.1889	1.0935	2.0677	3.9585	3.9124	2.9316	3.0560	2.4346	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.309	C1	C2	H7	110.221
C1	C2	H8	107.863	C1	O5	C4	110.474
C2	C1	O5	108.988	C2	C1	O6	128.588
C2	C3	C4	101.613	C2	C3	H9	110.304
C2	C3	H10	114.153	C3	C2	H7	115.376
C3	C2	H8	111.944	C3	C4	O5	105.432
C3	C4	H11	114.151	C3	C4	H12	111.895
C4	C3	H9	110.021	C4	C3	H10	112.373
O5	C1	O6	122.422	O5	C4	H11	107.626
O5	C4	H12	108.492	H7	C2	H8	107.862
H9	C3	H10	108.255	H11	C4	H12	108.973

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

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/6-31G**

States and conformations

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