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	hartrees
Energy at 0K	-305.771187
Energy at 298.15K
HF Energy	-304.741356
Nuclear repulsion energy	238.416211

Atom	x (Å)	y (Å)	z (Å)
C1	0.891	-0.001	0.006
C2	-0.028	1.214	0.179
C3	-1.409	0.673	-0.237
C4	-1.282	-0.818	0.141
O5	0.126	-1.149	-0.052
O6	2.101	-0.028	-0.074
H7	0.348	2.060	-0.418
H8	-0.002	1.502	1.247
H9	-1.546	0.774	-1.328
H10	-2.255	1.162	0.274
H11	-1.866	-1.498	-0.498
H12	-1.536	-0.998	1.202

	C1	C2	C3	C4	O5	O6	H7	H8	H9	H10	H11	H12
C1		1.5337	2.4091	2.3261	1.3805	1.2128	2.1731	2.1444	2.8849	3.3649	3.1781	2.8838
C2	1.5337		1.5404	2.3887	2.3791	2.4777	1.1006	1.1066	2.1842	2.2298	3.3460	2.8662
C3	2.4091	1.5404		1.5432	2.3889	3.5830	2.2450	2.2065	1.1046	1.1027	2.2340	2.2088
C4	2.3261	2.3887	1.5432		1.4593	3.4814	3.3541	2.8717	2.1824	2.2096	1.1009	1.1062
O5	1.3805	2.3791	2.3889	1.4593		2.2714	3.2367	2.9546	2.8499	3.3333	2.0714	2.0875
O6	1.2128	2.4777	3.5830	3.4814	2.2714		2.7479	2.9167	3.9398	4.5289	4.2527	3.9747
H7	2.1731	1.1006	2.2450	3.3541	3.2367	2.7479		1.7901	2.4633	2.8387	4.1911	3.9395
H8	2.1444	1.1066	2.2065	2.8717	2.9546	2.9167	1.7901		3.0898	2.4775	3.9400	2.9332
H9	2.8849	2.1842	1.1046	2.1824	2.8499	3.9398	2.4633	3.0898		1.7945	2.4401	3.0894
H10	3.3649	2.2298	1.1027	2.2096	3.3333	4.5289	2.8387	2.4775	1.7945		2.7966	2.4578
H11	3.1781	3.3460	2.2340	1.1009	2.0714	4.2527	4.1911	3.9400	2.4401	2.7966		1.8034
H12	2.8838	2.8662	2.2088	1.1062	2.0875	3.9747	3.9395	2.9332	3.0894	2.4578	1.8034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	103.196	C1	C2	H7	110.077
C1	C2	H8	107.518	C1	O5	C4	109.957
C2	C1	O5	109.336	C2	C1	O6	128.499
C2	C3	C4	101.544	C2	C3	H9	110.242
C2	C3	H10	114.022	C3	C2	H7	115.425
C3	C2	H8	111.891	C3	C4	O5	105.397
C3	C4	H11	114.281	C3	C4	H12	111.903
C4	C3	H9	109.911	C4	C3	H10	112.175
O5	C1	O6	122.165	O5	C4	H11	107.182
O5	C4	H12	108.125	H7	C2	H8	108.390
H9	C3	H10	108.774	H11	C4	H12	109.591

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

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(T)/aug-cc-pVDZ

States and conformations

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