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	hartrees
Energy at 0K	-305.628963
Energy at 298.15K
HF Energy	-304.723093
Nuclear repulsion energy	240.063896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3200	3048	7.17
2	A	3190	3038	19.70
3	A	3181	3030	13.91
4	A	3115	2967	15.84
5	A	3106	2958	6.36
6	A	3087	2940	45.00
7	A	1877	1788	314.19
8	A	1523	1450	0.54
9	A	1489	1418	7.15
10	A	1456	1387	8.97
11	A	1403	1336	21.82
12	A	1348	1284	4.43
13	A	1310	1248	18.91
14	A	1267	1207	7.78
15	A	1224	1166	31.80
16	A	1199	1142	4.55
17	A	1182	1125	176.67
18	A	1098	1046	47.47
19	A	1088	1036	38.62
20	A	1018	969	18.16
21	A	962	916	3.18
22	A	905	862	14.33
23	A	885	843	17.34
24	A	818	779	5.88
25	A	682	650	3.72
26	A	635	605	2.76
27	A	528	503	2.24
28	A	491	468	3.17
29	A	238	227	2.52
30	A	156	149	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.885	-0.001	0.007
C2	-0.036	1.203	0.196
C3	-1.392	0.664	-0.259
C4	-1.265	-0.808	0.149
O5	0.122	-1.142	-0.051
O6	2.088	-0.024	-0.082
H7	0.348	2.069	-0.360
H8	-0.041	1.456	1.271
H9	-1.484	0.741	-1.356
H10	-2.260	1.159	0.203
H11	-1.867	-1.498	-0.459
H12	-1.519	-0.954	1.215

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5278	2.3876	2.3011	1.3736	1.2061	2.1699	2.1402	2.8324	3.3577	3.1675	2.8542
C2	1.5278		1.5282	2.3568	2.3624	2.4683	1.0987	1.1051	2.1717	2.2238	3.3279	2.8084
C3	2.3876	1.5282		1.5331	2.3657	3.5518	2.2390	2.1902	1.1029	1.1004	2.2231	2.1927
C4	2.3011	2.3568	1.5331		1.4402	3.4512	3.3376	2.8083	2.1708	2.2046	1.0993	1.1055
O5	1.3736	2.3624	2.3657	1.4402		2.2620	3.2334	2.9194	2.7979	3.3206	2.0613	2.0804
O6	1.2061	2.4683	3.5518	3.4512	2.2620		2.7353	2.9242	3.8688	4.5144	4.2377	3.9440
H7	2.1699	1.0987	2.2390	3.3376	3.2334	2.7353		1.7851	2.4726	2.8191	4.2005	3.8864
H8	2.1402	1.1051	2.1902	2.8083	2.9194	2.9242	1.7851		3.0816	2.4807	3.8807	2.8280
H9	2.8324	2.1717	1.1029	2.1708	2.7979	3.8688	2.4726	3.0816		1.7903	2.4426	3.0795
H10	3.3577	2.2238	1.1004	2.2046	3.3206	4.5144	2.8191	2.4807	1.7903		2.7664	2.4568
H11	3.1675	3.3279	2.2231	1.0993	2.0613	4.2377	4.2005	3.8807	2.4426	2.7664		1.7945
H12	2.8542	2.8084	2.1927	1.1055	2.0804	3.9440	3.8864	2.8280	3.0795	2.4568	1.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.756	C1	C2	H7	110.346
C1	C2	H8	107.678	C1	O5	C4	109.706
C2	C1	O5	108.908	C2	C1	O6	128.690
C2	C3	C4	100.686	C2	C3	H9	110.210
C2	C3	H10	114.582	C3	C2	H7	115.973
C3	C2	H8	111.547	C3	C4	O5	105.389
C3	C4	H11	114.225	C3	C4	H12	111.374
C4	C3	H9	109.800	C4	C3	H10	112.645
O5	C1	O6	122.402	O5	C4	H11	107.767
O5	C4	H12	108.904	H7	C2	H8	108.191
H9	C3	H10	108.696	H11	C4	H12	108.960

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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