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	hartrees
Energy at 0K	-305.735588
Energy at 298.15K
HF Energy	-304.744673
Nuclear repulsion energy	239.981096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3186	3186	10.21
2	A	3178	3178	21.90
3	A	3166	3166	13.80
4	A	3105	3105	18.56
5	A	3098	3098	6.01
6	A	3091	3091	38.52
7	A	1903	1903	431.82
8	A	1533	1533	0.74
9	A	1502	1502	6.33
10	A	1469	1469	7.31
11	A	1410	1410	30.16
12	A	1348	1348	6.36
13	A	1316	1316	21.50
14	A	1270	1270	11.95
15	A	1227	1227	46.38
16	A	1205	1205	33.34
17	A	1203	1203	134.66
18	A	1106	1106	35.26
19	A	1096	1096	50.89
20	A	1015	1015	13.69
21	A	953	953	4.50
22	A	902	902	13.24
23	A	885	885	17.06
24	A	820	820	4.94
25	A	690	690	5.38
26	A	642	642	3.90
27	A	536	536	4.11
28	A	498	498	4.63
29	A	218	218	2.44
30	A	148	148	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.886	-0.003	0.004
C2	-0.026	1.209	0.177
C3	-1.405	0.669	-0.233
C4	-1.269	-0.819	0.139
O5	0.129	-1.137	-0.052
O6	2.084	-0.027	-0.073
H7	0.347	2.050	-0.420
H8	0.002	1.498	1.240
H9	-1.548	0.773	-1.319
H10	-2.246	1.151	0.281
H11	-1.850	-1.495	-0.498
H12	-1.525	-1.001	1.195

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5268	2.3991	2.3080	1.3650	1.2006	2.1641	2.1350	2.8768	3.3493	3.1572	2.8687
C2	1.5268		1.5369	2.3790	2.3628	2.4582	1.0960	1.1018	2.1779	2.2231	3.3315	2.8587
C3	2.3991	1.5369		1.5395	2.3762	3.5611	2.2386	2.1994	1.0999	1.0978	2.2250	2.2006
C4	2.3080	2.3790	1.5395		1.4460	3.4514	3.3394	2.8622	2.1765	2.2038	1.0965	1.1017
O5	1.3650	2.3628	2.3762	1.4460		2.2484	3.2154	2.9371	2.8396	3.3147	2.0602	2.0761
O6	1.2006	2.4582	3.5611	3.4514	2.2484		2.7294	2.8948	3.9218	4.5012	4.2208	3.9477
H7	2.1641	1.0960	2.2386	3.3394	3.2154	2.7294		1.7830	2.4553	2.8322	4.1713	3.9271
H8	2.1350	1.1018	2.1994	2.8622	2.9371	2.8948	1.7830		3.0782	2.4683	3.9255	2.9291
H9	2.8768	2.1779	1.0999	2.1765	2.8396	3.9218	2.4553	3.0782		1.7866	2.4306	3.0768
H10	3.3493	2.2231	1.0978	2.2038	3.3147	4.5012	2.8322	2.4683	1.7866		2.7872	2.4468
H11	3.1572	3.3315	2.2250	1.0965	2.0602	4.2208	4.1713	3.9255	2.4306	2.7872		1.7936
H12	2.8687	2.8587	2.2006	1.1017	2.0761	3.9477	3.9271	2.9291	3.0768	2.4468	1.7936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.089	C1	C2	H7	110.119
C1	C2	H8	107.523	C1	O5	C4	110.349
C2	C1	O5	109.458	C2	C1	O6	128.256
C2	C3	C4	101.306	C2	C3	H9	110.272
C2	C3	H10	114.045	C3	C2	H7	115.458
C3	C2	H8	111.867	C3	C4	O5	105.438
C3	C4	H11	114.098	C3	C4	H12	111.789
C4	C3	H9	109.984	C4	C3	H10	112.284
O5	C1	O6	122.287	O5	C4	H11	107.455
O5	C4	H12	108.398	H7	C2	H8	108.435
H9	C3	H10	108.771	H11	C4	H12	109.363

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

using model chemistry: MP3=FULL/aug-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: MP3=FULL/aug-cc-pVDZ

States and conformations

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