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	hartrees
Energy at 0K	-305.964647
Energy at 298.15K
HF Energy	-304.815081
Nuclear repulsion energy	241.429106

Atom	x (Å)	y (Å)	z (Å)
C1	0.882	-0.003	0.004
C2	-0.028	1.201	0.178
C3	-1.395	0.664	-0.234
C4	-1.262	-0.813	0.138
O5	0.126	-1.131	-0.049
O6	2.075	-0.026	-0.074
H7	0.340	2.039	-0.407
H8	-0.003	1.484	1.232
H9	-1.533	0.766	-1.311
H10	-2.231	1.144	0.269
H11	-1.842	-1.481	-0.492
H12	-1.521	-0.991	1.183

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5196	2.3850	2.2954	1.3592	1.1956	2.1522	2.1224	2.8553	3.3286	3.1386	2.8535
C2	1.5196		1.5254	2.3622	2.3485	2.4480	1.0856	1.0918	2.1609	2.2059	3.3066	2.8368
C3	2.3850	1.5254		1.5290	2.3601	3.5416	2.2202	2.1815	1.0899	1.0874	2.2065	2.1829
C4	2.2954	2.3622	1.5290		1.4356	3.4346	3.3155	2.8386	2.1595	2.1880	1.0863	1.0917
O5	1.3592	2.3485	2.3601	1.4356		2.2408	3.1970	2.9154	2.8178	3.2914	2.0469	2.0617
O6	1.1956	2.4480	3.5416	3.4346	2.2408		2.7172	2.8824	3.8950	4.4755	4.1991	3.9301
H7	2.1522	1.0856	2.2202	3.3155	3.1970	2.7172		1.7640	2.4379	2.8050	4.1419	3.8952
H8	2.1224	1.0918	2.1815	2.8386	2.9154	2.8824	1.7640		3.0529	2.4509	3.8919	2.9044
H9	2.8553	2.1609	1.0899	2.1595	2.8178	3.8950	2.4379	3.0529		1.7678	2.4112	3.0505
H10	3.3286	2.2059	1.0874	2.1880	3.2914	4.4755	2.8050	2.4509	1.7678		2.7609	2.4290
H11	3.1386	3.3066	2.2065	1.0863	2.0469	4.1991	4.1419	3.8919	2.4112	2.7609		1.7744
H12	2.8535	2.8368	2.1829	1.0917	2.0617	3.9301	3.8952	2.9044	3.0505	2.4290	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.113	C1	C2	H7	110.286
C1	C2	H8	107.597	C1	O5	C4	110.407
C2	C1	O5	109.203	C2	C1	O6	128.336
C2	C3	C4	101.313	C2	C3	H9	110.317
C2	C3	H10	114.131	C3	C2	H7	115.454
C3	C2	H8	111.857	C3	C4	O5	105.477
C3	C4	H11	113.989	C3	C4	H12	111.718
C4	C3	H9	109.959	C4	C3	H10	112.393
O5	C1	O6	122.460	O5	C4	H11	107.713
O5	C4	H12	108.569	H7	C2	H8	108.213
H9	C3	H10	108.565	H11	C4	H12	109.119

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

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

States and conformations

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