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	hartrees
Energy at 0K	-306.051975
Energy at 298.15K
HF Energy	-304.816017
Nuclear repulsion energy	242.586194

Atom	x (Å)	y (Å)	z (Å)
C1	0.877	-0.004	0.004
C2	-0.026	1.194	0.181
C3	-1.385	0.662	-0.238
C4	-1.258	-0.806	0.140
O5	0.123	-1.126	-0.050
O6	2.065	-0.028	-0.075
H7	0.344	2.034	-0.391
H8	-0.007	1.464	1.235
H9	-1.508	0.755	-1.313
H10	-2.223	1.146	0.248
H11	-1.842	-1.473	-0.480
H12	-1.514	-0.974	1.184

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5112	2.3714	2.2848	1.3528	1.1904	2.1435	2.1104	2.8289	3.3164	3.1281	2.8372
C2	1.5112		1.5188	2.3496	2.3360	2.4351	1.0812	1.0879	2.1501	2.1989	3.2934	2.8142
C3	2.3714	1.5188		1.5221	2.3466	3.5223	2.2122	2.1713	1.0859	1.0831	2.1967	2.1719
C4	2.2848	2.3496	1.5221		1.4294	3.4194	3.3034	2.8141	2.1482	2.1809	1.0817	1.0875
O5	1.3528	2.3360	2.3466	1.4294		2.2315	3.1854	2.8941	2.7916	3.2793	2.0407	2.0549
O6	1.1904	2.4351	3.5223	3.4194	2.2315		2.7037	2.8694	3.8614	4.4577	4.1851	3.9100
H7	2.1435	1.0812	2.2122	3.3034	3.1854	2.7037		1.7577	2.4320	2.7904	4.1328	3.8699
H8	2.1104	1.0879	2.1713	2.8141	2.8941	2.8694	1.7577		3.0414	2.4472	3.8646	2.8670
H9	2.8289	2.1501	1.0859	2.1482	2.7916	3.8614	2.4320	3.0414		1.7615	2.4021	3.0376
H10	3.3164	2.1989	1.0831	2.1809	3.2793	4.4577	2.7904	2.4472	1.7615		2.7449	2.4238
H11	3.1281	3.2934	2.1967	1.0817	2.0407	4.1851	4.1328	3.8646	2.4021	2.7449		1.7677
H12	2.8372	2.8142	2.1719	1.0875	2.0549	3.9100	3.8699	2.8670	3.0376	2.4238	1.7677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.002	C1	C2	H7	110.453
C1	C2	H8	107.455	C1	O5	C4	110.383
C2	C1	O5	109.176	C2	C1	O6	128.280
C2	C3	C4	101.185	C2	C3	H9	110.157
C2	C3	H10	114.332	C3	C2	H7	115.581
C3	C2	H8	111.746	C3	C4	O5	105.276
C3	C4	H11	113.981	C3	C4	H12	111.582
C4	C3	H9	109.777	C4	C3	H10	112.591
O5	C1	O6	122.543	O5	C4	H11	107.911
O5	C4	H12	108.700	H7	C2	H8	108.263
H9	C3	H10	108.610	H11	C4	H12	109.151

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

using model chemistry: CCSD=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: CCSD=FULL/cc-pVTZ

States and conformations

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