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	hartrees
Energy at 0K	-305.954079
Energy at 298.15K
HF Energy	-304.816021
Nuclear repulsion energy	241.994604

Atom	x (Å)	y (Å)	z (Å)
C1	0.881	-0.004	0.004
C2	-0.027	1.201	0.176
C3	-1.395	0.663	-0.232
C4	-1.256	-0.815	0.136
O5	0.128	-1.127	-0.049
O6	2.067	-0.025	-0.074
H7	0.341	2.035	-0.410
H8	-0.000	1.485	1.228
H9	-1.537	0.767	-1.305
H10	-2.228	1.139	0.276
H11	-1.834	-1.481	-0.495
H12	-1.519	-0.996	1.178

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5185	2.3836	2.2890	1.3527	1.1891	2.1498	2.1194	2.8559	3.3236	3.1303	2.8494
C2	1.5185		1.5260	2.3615	2.3439	2.4396	1.0837	1.0900	2.1599	2.2045	3.3028	2.8382
C3	2.3836	1.5260		1.5298	2.3578	3.5338	2.2200	2.1803	1.0879	1.0853	2.2041	2.1808
C4	2.2890	2.3615	1.5298		1.4306	3.4218	3.3123	2.8389	2.1590	2.1873	1.0845	1.0899
O5	1.3527	2.3439	2.3578	1.4306		2.2300	3.1898	2.9102	2.8180	3.2853	2.0431	2.0579
O6	1.1891	2.4396	3.5338	3.4218	2.2300		2.7091	2.8725	3.8904	4.4641	4.1848	3.9202
H7	2.1498	1.0837	2.2200	3.3123	3.1898	2.7091		1.7614	2.4366	2.8059	4.1350	3.8944
H8	2.1194	1.0900	2.1803	2.8389	2.9102	2.8725	1.7614		3.0492	2.4476	3.8896	2.9090
H9	2.8559	2.1599	1.0879	2.1590	2.8180	3.8904	2.4366	3.0492		1.7653	2.4077	3.0459
H10	3.3236	2.2045	1.0853	2.1873	3.2853	4.4641	2.8059	2.4476	1.7653		2.7593	2.4239
H11	3.1303	3.3028	2.2041	1.0845	2.0431	4.1848	4.1350	3.8896	2.4077	2.7593		1.7708
H12	2.8494	2.8382	2.1808	1.0899	2.0579	3.9202	3.8944	2.9090	3.0459	2.4239	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.059	C1	C2	H7	110.293
C1	C2	H8	107.552	C1	O5	C4	110.621
C2	C1	O5	109.312	C2	C1	O6	128.171
C2	C3	C4	101.210	C2	C3	H9	110.313
C2	C3	H10	114.113	C3	C2	H7	115.523
C3	C2	H8	111.830	C3	C4	O5	105.537
C3	C4	H11	113.850	C3	C4	H12	111.603
C4	C3	H9	109.979	C4	C3	H10	112.413
O5	C1	O6	122.516	O5	C4	H11	107.858
O5	C4	H12	108.710	H7	C2	H8	108.250
H9	C3	H10	108.640	H11	C4	H12	109.057

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

using model chemistry: MP3/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: MP3/cc-pVTZ

States and conformations

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