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	hartrees
Energy at 0K	-305.700798
Energy at 298.15K
HF Energy	-304.717423
Nuclear repulsion energy	239.650144

Atom	x (Å)	y (Å)	z (Å)
C1	0.886	-0.004	0.005
C2	-0.026	1.207	0.181
C3	-1.398	0.671	-0.237
C4	-1.281	-0.811	0.139
O5	0.121	-1.143	-0.049
O6	2.096	-0.030	-0.075
H7	0.347	2.044	-0.407
H8	-0.003	1.493	1.237
H9	-1.533	0.774	-1.317
H10	-2.235	1.161	0.263
H11	-1.858	-1.483	-0.495
H12	-1.538	-0.990	1.187

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5255	2.3940	2.3170	1.3734	1.2124	2.1574	2.1330	2.8648	3.3411	3.1576	2.8714
C2	1.5255		1.5306	2.3767	2.3649	2.4688	1.0892	1.0951	2.1685	2.2109	3.3238	2.8502
C3	2.3940	1.5306		1.5340	2.3732	3.5667	2.2265	2.1895	1.0932	1.0912	2.2182	2.1933
C4	2.3170	2.3767	1.5340		1.4530	3.4730	3.3321	2.8550	2.1669	2.1937	1.0890	1.0942
O5	1.3734	2.3649	2.3732	1.4530		2.2671	3.2148	2.9356	2.8314	3.3092	2.0569	2.0741
O6	1.2124	2.4688	3.5667	3.4730	2.2671		2.7328	2.9065	3.9187	4.5038	4.2333	3.9645
H7	2.1574	1.0892	2.2265	3.3321	3.2148	2.7328		1.7694	2.4447	2.8101	4.1607	3.9118
H8	2.1330	1.0951	2.1895	2.8550	2.9356	2.9065	1.7694		3.0632	2.4574	3.9116	2.9196
H9	2.8648	2.1685	1.0932	2.1669	2.8314	3.9187	2.4447	3.0632		1.7720	2.4239	3.0635
H10	3.3411	2.2109	1.0912	2.1937	3.3092	4.5038	2.8101	2.4574	1.7720		2.7761	2.4425
H11	3.1576	3.3238	2.2182	1.0890	2.0569	4.2333	4.1607	3.9116	2.4239	2.7761		1.7824
H12	2.8714	2.8502	2.1933	1.0942	2.0741	3.9645	3.9118	2.9196	3.0635	2.4425	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.134	C1	C2	H7	110.071
C1	C2	H8	107.833	C1	O5	C4	110.094
C2	C1	O5	109.217	C2	C1	O6	128.397
C2	C3	C4	101.713	C2	C3	H9	110.366
C2	C3	H10	113.927	C3	C2	H7	115.366
C3	C2	H8	111.935	C3	C4	O5	105.187
C3	C4	H11	114.427	C3	C4	H12	112.045
C4	C3	H9	110.005	C4	C3	H10	112.267
O5	C1	O6	122.386	O5	C4	H11	107.157
O5	C4	H12	108.197	H7	C2	H8	108.199
H9	C3	H10	108.435	H11	C4	H12	109.455

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

using model chemistry: CCSD(T)/6-31+G**

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(T)/6-31+G**

States and conformations

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