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	hartrees
Energy at 0K	-342.398459
Energy at 298.15K
HF Energy	-341.386146
Nuclear repulsion energy	267.198379

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.090
C2	0.000	1.205	0.151
C3	0.000	-1.205	0.151
C4	0.000	0.672	-1.251
C5	0.000	-0.672	-1.251
O6	0.000	2.372	0.464
O7	0.000	-2.372	0.464
H8	0.880	0.000	1.731
H9	-0.880	0.000	1.731
H10	0.000	1.330	-2.107
H11	0.000	-1.330	-2.107

	C1	C2	C3	C4	C5	O6	O7	H8	H9	H10	H11
C1		1.5278	1.5278	2.4359	2.4359	2.4531	2.4531	1.0889	1.0889	3.4624	3.4624
C2	1.5278		2.4098	1.4999	2.3427	1.2083	3.5905	2.1735	2.1735	2.2610	3.3941
C3	1.5278	2.4098		2.3427	1.4999	3.5905	1.2083	2.1735	2.1735	3.3941	2.2610
C4	2.4359	1.4999	2.3427		1.3438	2.4150	3.4939	3.1814	3.1814	1.0791	2.1767
C5	2.4359	2.3427	1.4999	1.3438		3.4939	2.4150	3.1814	3.1814	2.1767	1.0791
O6	2.4531	1.2083	3.5905	2.4150	3.4939		4.7438	2.8295	2.8295	2.7741	4.5067
O7	2.4531	3.5905	1.2083	3.4939	2.4150	4.7438		2.8295	2.8295	4.5067	2.7741
H8	1.0889	2.1735	2.1735	3.1814	3.1814	2.8295	2.8295		1.7604	4.1560	4.1560
H9	1.0889	2.1735	2.1735	3.1814	3.1814	2.8295	2.8295	1.7604		4.1560	4.1560
H10	3.4624	2.2610	3.3941	1.0791	2.1767	2.7741	4.5067	4.1560	4.1560		2.6592
H11	3.4624	3.3941	2.2610	2.1767	1.0791	4.5067	2.7741	4.1560	4.1560	2.6592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	107.126	C1	C2	O6	127.028
C1	C3	C5	107.126	C1	C3	O7	127.028
C2	C1	C3	104.117	C2	C1	H8	111.220
C2	C1	H9	111.220	C2	C4	C5	110.815
C2	C4	H10	121.633	C3	C1	H8	111.220
C3	C1	H9	111.220	C3	C5	C4	110.815
C3	C5	H11	121.633	C4	C2	O6	125.845
C4	C5	H11	127.551	C5	C3	O7	125.845
C5	C4	H10	127.551	H8	C1	H9	107.876

All results from a given calculation for C₅H₄O₂ (4-Cyclopentene-1,3-dione)

using model chemistry: MP3/6-31+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 C5H4O2 (4-Cyclopentene-1,3-dione)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₅H₄O₂ (4-Cyclopentene-1,3-dione)