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	hartrees
Energy at 0K	-306.204691
Energy at 298.15K
HF Energy	-305.898457
Nuclear repulsion energy	240.428079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3190	9.79
2	A	3179	3179	26.35
3	A	3169	3169	12.54
4	A	3115	3115	19.28
5	A	3104	3104	5.96
6	A	3093	3093	42.74
7	A	1881	1881	337.81
8	A	1562	1562	0.52
9	A	1534	1534	4.38
10	A	1502	1502	7.03
11	A	1421	1421	18.06
12	A	1372	1372	2.50
13	A	1332	1332	9.76
14	A	1278	1278	8.46
15	A	1240	1240	15.58
16	A	1215	1215	4.29
17	A	1190	1190	208.25
18	A	1113	1113	9.21
19	A	1078	1078	68.01
20	A	1023	1023	20.44
21	A	952	952	4.49
22	A	911	911	9.79
23	A	890	890	16.71
24	A	815	815	5.14
25	A	684	684	4.66
26	A	643	643	4.33
27	A	533	533	3.57
28	A	487	487	3.54
29	A	216	216	2.43
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	-0.409
H8	-0.002	1.495	1.232
H9	-1.539	0.776	-1.309
H10	-2.234	1.151	0.272
H11	-1.849	-1.481	-0.503
H12	-1.539	-1.000	1.178

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5230	2.3918	2.3090	1.3682	1.2048	2.1561	2.1301	2.8658	3.3372	3.1505	2.8732
C2	1.5230		1.5268	2.3704	2.3553	2.4618	1.0879	1.0937	2.1629	2.2089	3.3147	2.8529
C3	2.3918	1.5268		1.5318	2.3667	3.5581	2.2223	2.1851	1.0914	1.0894	2.2126	2.1889
C4	2.3090	2.3704	1.5318		1.4420	3.4565	3.3241	2.8543	2.1639	2.1919	1.0885	1.0935
O5	1.3682	2.3553	2.3667	1.4420		2.2563	3.2067	2.9275	2.8311	3.2990	2.0530	2.0678
O6	1.2048	2.4618	3.5581	3.4565	2.2563		2.7307	2.8981	3.9150	4.4937	4.2180	3.9585
H7	2.1561	1.0879	2.2223	3.3241	3.2067	2.7307		1.7635	2.4381	2.8081	4.1489	3.9121
H8	2.1301	1.0937	2.1851	2.8543	2.9275	2.8981	1.7635		3.0555	2.4541	3.9087	2.9307
H9	2.8658	2.1629	1.0914	2.1639	2.8311	3.9150	2.4381	3.0555		1.7672	2.4164	3.0560
H10	3.3372	2.2089	1.0894	2.1919	3.2990	4.4937	2.8081	2.4541	1.7672		2.7702	2.4348
H11	3.1505	3.3147	2.2126	1.0885	2.0530	4.2180	4.1489	3.9087	2.4164	2.7702		1.7761
H12	2.8732	2.8529	2.1889	1.0935	2.0678	3.9585	3.9121	2.9307	3.0560	2.4348	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.303	C1	C2	H7	110.226
C1	C2	H8	107.858	C1	O5	C4	110.472
C2	C1	O5	108.986	C2	C1	O6	128.594
C2	C3	C4	101.606	C2	C3	H9	110.298
C2	C3	H10	114.156	C3	C2	H7	115.379
C3	C2	H8	111.936	C3	C4	O5	105.430
C3	C4	H11	114.151	C3	C4	H12	111.891
C4	C3	H9	110.019	C4	C3	H10	112.381
O5	C1	O6	122.418	O5	C4	H11	107.627
O5	C4	H12	108.501	H7	C2	H8	107.870
H9	C3	H10	108.259	H11	C4	H12	108.969

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

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

States and conformations

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