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	hartrees
Energy at 0K	-306.024101
Energy at 298.15K
HF Energy	-304.814910
Nuclear repulsion energy	242.335449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3195	3033	3.69
2	A	3187	3025	17.62
3	A	3177	3016	12.53
4	A	3123	2965	16.09
5	A	3108	2951	5.29
6	A	3101	2944	32.30
7	A	1868	1773	338.26
8	A	1553	1475	1.08
9	A	1519	1442	6.76
10	A	1486	1411	8.99
11	A	1414	1342	16.62
12	A	1357	1288	2.38
13	A	1320	1253	12.27
14	A	1286	1221	8.90
15	A	1235	1173	23.58
16	A	1214	1152	2.60
17	A	1193	1132	198.66
18	A	1107	1051	28.04
19	A	1093	1037	57.08
20	A	1025	973	18.86
21	A	966	917	3.27
22	A	911	865	14.29
23	A	892	847	17.56
24	A	823	781	5.49
25	A	689	654	3.83
26	A	641	609	2.91
27	A	533	506	2.32
28	A	499	473	2.94
29	A	235	223	2.43
30	A	157	149	0.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.877	-0.002	0.005
C2	-0.031	1.190	0.189
C3	-1.381	0.662	-0.250
C4	-1.262	-0.799	0.146
O5	0.119	-1.131	-0.052
O6	2.071	-0.026	-0.078
H7	0.345	2.038	-0.366
H8	-0.024	1.444	1.246
H9	-1.481	0.741	-1.328
H10	-2.227	1.151	0.216
H11	-1.852	-1.472	-0.461
H12	-1.509	-0.950	1.194

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5096	2.3676	2.2870	1.3609	1.1973	2.1408	2.1081	2.8089	3.3181	3.1348	2.8293
C2	1.5096		1.5150	2.3397	2.3377	2.4429	1.0809	1.0877	2.1458	2.1967	3.2902	2.7882
C3	2.3676	1.5150		1.5184	2.3455	3.5245	2.2109	2.1659	1.0850	1.0826	2.1951	2.1675
C4	2.2870	2.3397	1.5184		1.4334	3.4290	3.3008	2.7879	2.1429	2.1775	1.0813	1.0872
O5	1.3609	2.3377	2.3455	1.4334		2.2436	3.1923	2.8866	2.7733	3.2834	2.0417	2.0576
O6	1.1973	2.4429	3.5245	3.4290	2.2436		2.7060	2.8819	3.8433	4.4662	4.1990	3.9101
H7	2.1408	1.0809	2.2109	3.3008	3.1923	2.7060		1.7577	2.4378	2.7822	4.1422	3.8469
H8	2.1081	1.0877	2.1659	2.7879	2.8866	2.8819	1.7577		3.0398	2.4491	3.8413	2.8170
H9	2.8089	2.1458	1.0850	2.1429	2.7733	3.8433	2.4378	3.0398		1.7625	2.4054	3.0360
H10	3.3181	2.1967	1.0826	2.1775	3.2834	4.4662	2.7822	2.4491	1.7625		2.7349	2.4263
H11	3.1348	3.2902	2.1951	1.0813	2.0417	4.1990	4.1422	3.8413	2.4054	2.7349		1.7688
H12	2.8293	2.7882	2.1675	1.0872	2.0576	3.9101	3.8469	2.8170	3.0360	2.4263	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.033	C1	C2	H7	110.370
C1	C2	H8	107.402	C1	O5	C4	109.833
C2	C1	O5	108.951	C2	C1	O6	128.604
C2	C3	C4	100.945	C2	C3	H9	110.138
C2	C3	H10	114.457	C3	C2	H7	115.783
C3	C2	H8	111.593	C3	C4	O5	105.199
C3	C4	H11	114.153	C3	C4	H12	111.515
C4	C3	H9	109.676	C4	C3	H10	112.604
O5	C1	O6	122.444	O5	C4	H11	107.742
O5	C4	H12	108.656	H7	C2	H8	108.297
H9	C3	H10	108.794	H11	C4	H12	109.310

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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