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	hartrees
Energy at 0K	-305.663220
Energy at 298.15K
HF Energy	-304.712971
Nuclear repulsion energy	241.346439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3251	3251	8.92
2	A	3239	3239	25.15
3	A	3230	3230	12.56
4	A	3172	3172	16.98
5	A	3163	3163	5.58
6	A	3150	3150	40.57
7	A	1968	1968	375.82
8	A	1597	1597	0.58
9	A	1565	1565	4.69
10	A	1534	1534	7.38
11	A	1456	1456	27.68
12	A	1400	1400	4.61
13	A	1365	1365	18.78
14	A	1304	1304	17.05
15	A	1268	1268	43.43
16	A	1242	1242	187.81
17	A	1238	1238	3.08
18	A	1138	1138	22.24
19	A	1124	1124	54.48
20	A	1044	1044	13.00
21	A	973	973	4.49
22	A	930	930	10.46
23	A	913	913	13.27
24	A	839	839	5.32
25	A	702	702	6.37
26	A	655	655	4.00
27	A	542	542	4.61
28	A	502	502	4.83
29	A	224	224	2.86
30	A	154	154	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.882	-0.004	0.005
C2	-0.027	1.201	0.184
C3	-1.391	0.666	-0.240
C4	-1.266	-0.810	0.138
O5	0.122	-1.132	-0.046
O6	2.077	-0.028	-0.078
H7	0.346	2.040	-0.393
H8	-0.011	1.478	1.238
H9	-1.517	0.765	-1.316
H10	-2.229	1.151	0.251
H11	-1.845	-1.479	-0.490
H12	-1.530	-0.983	1.181

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5196	2.3821	2.2978	1.3608	1.1982	2.1508	2.1240	2.8446	3.3276	3.1396	2.8563
C2	1.5196		1.5252	2.3629	2.3491	2.4502	1.0841	1.0900	2.1585	2.2043	3.3082	2.8331
C3	2.3821	1.5252		1.5293	2.3585	3.5402	2.2194	2.1786	1.0879	1.0857	2.2073	2.1815
C4	2.2978	2.3629	1.5293		1.4368	3.4398	3.3173	2.8322	2.1585	2.1880	1.0848	1.0900
O5	1.3608	2.3491	2.3585	1.4368		2.2450	3.1993	2.9115	2.8112	3.2910	2.0468	2.0634
O6	1.1982	2.4502	3.5402	3.4398	2.2450		2.7158	2.8907	3.8831	4.4767	4.2021	3.9380
H7	2.1508	1.0841	2.2194	3.3173	3.1993	2.7158		1.7612	2.4384	2.7991	4.1467	3.8906
H8	2.1240	1.0900	2.1786	2.8322	2.9115	2.8907	1.7612		3.0491	2.4500	3.8852	2.8930
H9	2.8446	2.1585	1.0879	2.1585	2.8112	3.8831	2.4384	3.0491		1.7638	2.4141	3.0482
H10	3.3276	2.2043	1.0857	2.1880	3.2910	4.4767	2.7991	2.4500	1.7638		2.7593	2.4305
H11	3.1396	3.3082	2.2073	1.0848	2.0468	4.2021	4.1467	3.8852	2.4141	2.7593		1.7711
H12	2.8563	2.8331	2.1815	1.0900	2.0634	3.9380	3.8906	2.8930	3.0482	2.4305	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.954	C1	C2	H7	110.274
C1	C2	H8	107.832	C1	O5	C4	110.409
C2	C1	O5	109.162	C2	C1	O6	128.332
C2	C3	C4	101.352	C2	C3	H9	110.266
C2	C3	H10	114.133	C3	C2	H7	115.514
C3	C2	H8	111.751	C3	C4	O5	105.295
C3	C4	H11	114.133	C3	C4	H12	111.684
C4	C3	H9	109.972	C4	C3	H10	112.487
O5	C1	O6	122.506	O5	C4	H11	107.707
O5	C4	H12	108.719	H7	C2	H8	108.209
H9	C3	H10	108.477	H11	C4	H12	109.051

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

using model chemistry: MP3=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: MP3=FULL/6-31G**

States and conformations

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