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	hartrees
Energy at 0K	-305.639439
Energy at 298.15K
HF Energy	-304.711120
Nuclear repulsion energy	240.819950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3244	3031	8.84
2	A	3235	3022	19.98
3	A	3225	3014	10.34
4	A	3163	2956	15.43
5	A	3151	2945	5.08
6	A	3138	2933	40.32
7	A	1883	1760	297.78
8	A	1584	1480	0.65
9	A	1553	1451	4.56
10	A	1522	1422	7.47
11	A	1434	1340	16.93
12	A	1389	1298	2.37
13	A	1349	1261	12.08
14	A	1294	1209	8.68
15	A	1255	1173	21.27
16	A	1225	1145	6.14
17	A	1204	1125	206.66
18	A	1124	1050	12.89
19	A	1096	1024	60.42
20	A	1035	967	23.63
21	A	972	908	4.46
22	A	924	863	11.27
23	A	903	844	19.31
24	A	826	772	6.98
25	A	686	641	4.36
26	A	645	603	3.31
27	A	533	498	3.37
28	A	490	458	3.42
29	A	234	219	2.87
30	A	157	147	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.882	-0.002	0.006
C2	-0.031	1.196	0.192
C3	-1.385	0.666	-0.252
C4	-1.273	-0.802	0.143
O5	0.117	-1.139	-0.047
O6	2.088	-0.028	-0.081
H7	0.346	2.047	-0.366
H8	-0.030	1.457	1.252
H9	-1.487	0.752	-1.333
H10	-2.234	1.160	0.214
H11	-1.859	-1.478	-0.472
H12	-1.529	-0.958	1.192

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5186	2.3784	2.3033	1.3716	1.2089	2.1506	2.1242	2.8241	3.3324	3.1505	2.8527
C2	1.5186		1.5205	2.3534	2.3520	2.4625	1.0855	1.0912	2.1547	2.2029	3.3070	2.8083
C3	2.3784	1.5205		1.5250	2.3574	3.5461	2.2177	2.1740	1.0888	1.0870	2.2073	2.1788
C4	2.3033	2.3534	1.5250		1.4426	3.4564	3.3166	2.8070	2.1540	2.1858	1.0860	1.0912
O5	1.3716	2.3520	2.3574	1.4426		2.2631	3.2100	2.9061	2.7930	3.2981	2.0497	2.0682
O6	1.2089	2.4625	3.5461	3.4564	2.2631		2.7236	2.9093	3.8671	4.4917	4.2236	3.9462
H7	2.1506	1.0855	2.2177	3.3166	3.2100	2.7236		1.7630	2.4440	2.7896	4.1598	3.8703
H8	2.1242	1.0912	2.1740	2.8070	2.9061	2.9093	1.7630		3.0501	2.4542	3.8647	2.8436
H9	2.8241	2.1547	1.0888	2.1540	2.7930	3.8671	2.4440	3.0501		1.7663	2.4193	3.0502
H10	3.3324	2.2029	1.0870	2.1858	3.2981	4.4917	2.7896	2.4542	1.7663		2.7516	2.4370
H11	3.1505	3.3070	2.2073	1.0860	2.0497	4.2236	4.1598	3.8647	2.4193	2.7516		1.7747
H12	2.8527	2.8083	2.1788	1.0912	2.0682	3.9462	3.8703	2.8436	3.0502	2.4370	1.7747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	102.999	C1	C2	H7	110.245
C1	C2	H8	107.844	C1	O5	C4	109.840
C2	C1	O5	108.835	C2	C1	O6	128.720
C2	C3	C4	101.201	C2	C3	H9	110.237
C2	C3	H10	114.278	C3	C2	H7	115.632
C3	C2	H8	111.632	C3	C4	O5	105.161
C3	C4	H11	114.377	C3	C4	H12	111.708
C4	C3	H9	109.873	C4	C3	H10	112.538
O5	C1	O6	122.445	O5	C4	H11	107.477
O5	C4	H12	108.627	H7	C2	H8	108.179
H9	C3	H10	108.540	H11	C4	H12	109.198

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

using model chemistry: MP2=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: MP2=FULL/6-31G**

States and conformations

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