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	hartrees
Energy at 0K	-306.404795
Energy at 298.15K
HF Energy	-305.999959
Nuclear repulsion energy	241.241314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3155	3155	8.25
2	A	3147	3147	19.51
3	A	3134	3134	14.07
4	A	3082	3082	19.42
5	A	3071	3071	5.55
6	A	3065	3065	36.08
7	A	1843	1843	409.44
8	A	1542	1542	0.85
9	A	1514	1514	6.21
10	A	1481	1481	8.45
11	A	1407	1407	15.83
12	A	1354	1354	1.43
13	A	1317	1317	6.47
14	A	1273	1273	8.33
15	A	1228	1228	11.88
16	A	1209	1209	2.99
17	A	1174	1174	210.56
18	A	1105	1105	10.42
19	A	1067	1067	76.58
20	A	1015	1015	21.86
21	A	946	946	4.66
22	A	902	902	10.80
23	A	882	882	21.36
24	A	810	810	5.00
25	A	684	684	4.05
26	A	642	642	4.28
27	A	535	535	3.68
28	A	491	491	3.11
29	A	212	212	2.24
30	A	150	150	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.885	-0.003	0.004
C2	-0.026	1.201	0.173
C3	-1.397	0.666	-0.226
C4	-1.267	-0.814	0.132
O5	0.125	-1.130	-0.047
O6	2.079	-0.029	-0.073
H7	0.339	2.033	-0.421
H8	0.009	1.497	1.222
H9	-1.552	0.779	-1.298
H10	-2.225	1.144	0.291
H11	-1.838	-1.478	-0.509
H12	-1.530	-1.008	1.173

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5186	2.3891	2.3037	1.3603	1.1967	2.1500	2.1210	2.8708	3.3271	3.1394	2.8652
C2	1.5186		1.5247	2.3670	2.3461	2.4499	1.0851	1.0911	2.1602	2.2033	3.3053	2.8536
C3	2.3891	1.5247		1.5285	2.3615	3.5481	2.2181	2.1827	1.0887	1.0866	2.2073	2.1858
C4	2.3037	2.3670	1.5285		1.4394	3.4432	3.3154	2.8560	2.1597	2.1853	1.0854	1.0904
O5	1.3603	2.3461	2.3615	1.4394		2.2425	3.1923	2.9195	2.8323	3.2878	2.0472	2.0599
O6	1.1967	2.4499	3.5481	3.4432	2.2425		2.7203	2.8787	3.9158	4.4757	4.1993	3.9413
H7	2.1500	1.0851	2.2181	3.3154	3.1923	2.7203		1.7592	2.4321	2.8057	4.1323	3.9091
H8	2.1210	1.0911	2.1827	2.8560	2.9195	2.8787	1.7592		3.0496	2.4465	3.9062	2.9405
H9	2.8708	2.1602	1.0887	2.1597	2.8323	3.9158	2.4321	3.0496		1.7634	2.4082	3.0493
H10	3.3271	2.2033	1.0866	2.1853	3.2878	4.4757	2.8057	2.4465	1.7634		2.7681	2.4274
H11	3.1394	3.3053	2.2073	1.0854	2.0472	4.1993	4.1323	3.9062	2.4082	2.7681		1.7729
H12	2.8652	2.8536	2.1858	1.0904	2.0599	3.9413	3.9091	2.9405	3.0493	2.4274	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.446	C1	C2	H7	110.214
C1	C2	H8	107.597	C1	O5	C4	110.707
C2	C1	O5	109.032	C2	C1	O6	128.527
C2	C3	C4	101.652	C2	C3	H9	110.389
C2	C3	H10	114.027	C3	C2	H7	115.370
C3	C2	H8	112.049	C3	C4	O5	105.400
C3	C4	H11	114.160	C3	C4	H12	112.066
C4	C3	H9	110.077	C4	C3	H10	112.260
O5	C1	O6	122.440	O5	C4	H11	107.526
O5	C4	H12	108.232	H7	C2	H8	107.876
H9	C3	H10	108.318	H11	C4	H12	109.144

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

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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