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	hartrees
Energy at 0K	-305.867212
Energy at 298.15K
HF Energy	-304.804546
Nuclear repulsion energy	241.292444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3201	3050	10.23
2	A	3195	3044	17.10
3	A	3183	3033	10.71
4	A	3119	2971	17.32
5	A	3109	2962	4.84
6	A	3101	2954	37.82
7	A	1848	1761	347.84
8	A	1552	1479	0.73
9	A	1518	1446	7.70
10	A	1485	1415	7.94
11	A	1429	1361	11.71
12	A	1373	1308	1.20
13	A	1331	1268	11.48
14	A	1291	1230	11.85
15	A	1236	1178	11.12
16	A	1221	1163	3.79
17	A	1182	1126	224.09
18	A	1112	1060	18.42
19	A	1086	1034	68.17
20	A	1027	978	22.94
21	A	963	917	3.87
22	A	918	874	11.72
23	A	896	853	26.01
24	A	818	780	6.80
25	A	686	654	3.72
26	A	641	611	3.17
27	A	529	504	3.27
28	A	498	474	2.68
29	A	230	219	3.00
30	A	152	145	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.881	-0.001	0.006
C2	-0.033	1.197	0.187
C3	-1.388	0.662	-0.250
C4	-1.266	-0.804	0.147
O5	0.122	-1.136	-0.054
O6	2.079	-0.025	-0.076
H7	0.342	2.042	-0.384
H8	-0.026	1.465	1.246
H9	-1.497	0.744	-1.331
H10	-2.234	1.151	0.228
H11	-1.854	-1.484	-0.462
H12	-1.509	-0.955	1.201

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5182	2.3777	2.2962	1.3665	1.2014	2.1490	2.1232	2.8280	3.3287	3.1463	2.8370
C2	1.5182		1.5207	2.3510	2.3509	2.4545	1.0861	1.0920	2.1565	2.2019	3.3058	2.7998
C3	2.3777	1.5207		1.5240	2.3560	3.5388	2.2169	2.1762	1.0896	1.0877	2.2066	2.1755
C4	2.2962	2.3510	1.5240		1.4408	3.4418	3.3117	2.8095	2.1531	2.1832	1.0862	1.0916
O5	1.3665	2.3509	2.3560	1.4408		2.2510	3.2026	2.9116	2.7902	3.2954	2.0475	2.0659
O6	1.2014	2.4545	3.5388	3.4418	2.2510		2.7174	2.8980	3.8669	4.4810	4.2133	3.9209
H7	2.1490	1.0861	2.2169	3.3117	3.2026	2.7174		1.7669	2.4417	2.7937	4.1550	3.8624
H8	2.1232	1.0920	2.1762	2.8095	2.9116	2.8980	1.7669		3.0529	2.4517	3.8674	2.8389
H9	2.8280	2.1565	1.0896	2.1531	2.7902	3.8669	2.4417	3.0529		1.7716	2.4185	3.0488
H10	3.3287	2.2019	1.0877	2.1832	3.2954	4.4810	2.7937	2.4517	1.7716		2.7501	2.4299
H11	3.1463	3.3058	2.2066	1.0862	2.0475	4.2133	4.1550	3.8674	2.4185	2.7501		1.7784
H12	2.8370	2.7998	2.1755	1.0916	2.0659	3.9209	3.8624	2.8389	3.0488	2.4299	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.964	C1	C2	H7	110.105
C1	C2	H8	107.749	C1	O5	C4	109.728
C2	C1	O5	109.052	C2	C1	O6	128.611
C2	C3	C4	101.094	C2	C3	H9	110.321
C2	C3	H10	114.133	C3	C2	H7	115.505
C3	C2	H8	111.752	C3	C4	O5	105.211
C3	C4	H11	114.380	C3	C4	H12	111.480
C4	C3	H9	109.822	C4	C3	H10	112.346
O5	C1	O6	122.337	O5	C4	H11	107.417
O5	C4	H12	108.549	H7	C2	H8	108.430
H9	C3	H10	108.914	H11	C4	H12	109.498

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

using model chemistry: MP2=FULL/TZVP

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: MP2=FULL/TZVP

States and conformations

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