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	hartrees
Energy at 0K	-305.961461
Energy at 298.15K
HF Energy	-304.827799
Nuclear repulsion energy	241.879832

Atom	x (Å)	y (Å)	z (Å)
C1	0.881	-0.004	0.004
C2	-0.027	1.201	0.177
C3	-1.395	0.663	-0.232
C4	-1.258	-0.814	0.136
O5	0.127	-1.127	-0.049
O6	2.069	-0.026	-0.074
H7	0.341	2.036	-0.410
H8	-0.001	1.485	1.230
H9	-1.536	0.767	-1.307
H10	-2.228	1.141	0.275
H11	-1.835	-1.481	-0.496
H12	-1.519	-0.995	1.180

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5181	2.3831	2.2910	1.3542	1.1906	2.1503	2.1203	2.8560	3.3244	3.1326	2.8506
C2	1.5181		1.5251	2.3611	2.3440	2.4416	1.0850	1.0911	2.1603	2.2043	3.3037	2.8378
C3	2.3831	1.5251		1.5287	2.3571	3.5349	2.2196	2.1806	1.0891	1.0866	2.2051	2.1817
C4	2.2910	2.3611	1.5287		1.4321	3.4252	3.3129	2.8389	2.1590	2.1869	1.0856	1.0908
O5	1.3542	2.3440	2.3571	1.4321		2.2323	3.1911	2.9111	2.8176	3.2861	2.0438	2.0585
O6	1.1906	2.4416	3.5349	3.4252	2.2323		2.7115	2.8756	3.8916	4.4666	4.1879	3.9225
H7	2.1503	1.0850	2.2196	3.3129	3.1911	2.7115		1.7632	2.4366	2.8053	4.1369	3.8952
H8	2.1203	1.0911	2.1806	2.8389	2.9111	2.8756	1.7632		3.0509	2.4478	3.8910	2.9080
H9	2.8560	2.1603	1.0891	2.1590	2.8176	3.8916	2.4366	3.0509		1.7669	2.4090	3.0481
H10	3.3244	2.2043	1.0866	2.1869	3.2861	4.4666	2.8053	2.4478	1.7669		2.7611	2.4257
H11	3.1326	3.3037	2.2051	1.0856	2.0438	4.1879	4.1369	3.8910	2.4090	2.7611		1.7731
H12	2.8506	2.8378	2.1817	1.0908	2.0585	3.9225	3.8952	2.9080	3.0481	2.4257	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.086	C1	C2	H7	110.281
C1	C2	H8	107.575	C1	O5	C4	110.592
C2	C1	O5	109.248	C2	C1	O6	128.270
C2	C3	C4	101.276	C2	C3	H9	110.343
C2	C3	H10	114.077	C3	C2	H7	115.473
C3	C2	H8	111.848	C3	C4	O5	105.475
C3	C4	H11	113.948	C3	C4	H12	111.698
C4	C3	H9	109.988	C4	C3	H10	112.381
O5	C1	O6	122.482	O5	C4	H11	107.749
O5	C4	H12	108.608	H7	C2	H8	108.250
H9	C3	H10	108.610	H11	C4	H12	109.114

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

using model chemistry: CCD/Def2TZVPP

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: CCD/Def2TZVPP

States and conformations

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