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	hartrees
Energy at 0K	-307.423040
Energy at 298.15K
HF Energy	-306.345379
Nuclear repulsion energy	312.366917

Atom	y (Å)	z (Å)
C1	1.451	-0.619
C2	0.687	-1.846
C3	-0.687	-1.846
C4	-1.451	-0.619
C5	-0.677	2.045
C6	0.677	2.045
C7	0.718	0.522
C8	-0.718	0.522
H9	2.531	-0.645
H10	1.221	-2.786
H11	-1.221	-2.786
H12	-2.531	-0.645
H13	-1.432	2.815
H14	1.432	2.815

	C1	C2	C3	C4	C5	C6	C7	C8	H9	H10	H11	H12	H13	H14
C1		1.4451	2.4643	2.9011	3.4090	2.7738	1.3558	2.4507	1.0812	2.1788	3.4396	3.9821	4.4829	3.4335
C2	1.4451		1.3734	2.4643	4.1225	3.8905	2.3680	2.7533	2.2009	1.0811	2.1266	3.4347	5.1191	4.7194
C3	2.4643	1.3734		1.4451	3.8905	4.1225	2.7533	2.3680	3.4347	2.1266	1.0811	2.2009	4.7194	5.1191
C4	2.9011	2.4643	1.4451		2.7738	3.4090	2.4507	1.3558	3.9821	3.4396	2.1788	1.0812	3.4335	4.4829
C5	3.4090	4.1225	3.8905	2.7738		1.3539	2.0652	1.5232	4.1868	5.1898	4.8609	3.2673	1.0780	2.2448
C6	2.7738	3.8905	4.1225	3.4090	1.3539		1.5232	2.0652	3.2673	4.8609	5.1898	4.1868	2.2448	1.0780
C7	1.3558	2.3680	2.7533	2.4507	2.0652	1.5232		1.4366	2.1564	3.3457	3.8343	3.4530	3.1429	2.4008
C8	2.4507	2.7533	2.3680	1.3558	1.5232	2.0652	1.4366		3.4530	3.8343	3.3457	2.1564	2.4008	3.1429
H9	1.0812	2.2009	3.4347	3.9821	4.1868	3.2673	2.1564	3.4530		2.5098	4.3198	5.0628	5.2608	3.6303
H10	2.1788	1.0811	2.1266	3.4396	5.1898	4.8609	3.3457	3.8343	2.5098		2.4417	4.3198	6.1966	5.6041
H11	3.4396	2.1266	1.0811	2.1788	4.8609	5.1898	3.8343	3.3457	4.3198	2.4417		2.5098	5.6041	6.1966
H12	3.9821	3.4347	2.2009	1.0812	3.2673	4.1868	3.4530	2.1564	5.0628	4.3198	2.5098		3.6303	5.2608
H13	4.4829	5.1191	4.7194	3.4335	1.0780	2.2448	3.1429	2.4008	5.2608	6.1966	5.6041	3.6303		2.8635
H14	3.4335	4.7194	5.1191	4.4829	2.2448	1.0780	2.4008	3.1429	3.6303	5.6041	6.1966	5.2608	2.8635

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	121.909	C1	C2	H10	118.481
C1	C7	C6	148.866	C1	C7	N8	122.690
C2	C1	C7	115.401	C2	C1	H9	120.516
C2	C3	C4	121.909	C2	C3	H11	119.610
C3	C2	H10	119.610	C3	C4	N8	115.401
C3	C4	H12	120.516	C4	C3	H11	118.481
C4	N8	C5	148.866	C4	N8	C7	122.690
C5	C6	C7	91.556	C5	C6	H14	134.441
C5	N8	C7	88.444	C6	C5	N8	91.556
C6	C5	H13	134.441	C6	C7	N8	88.444
C7	C1	H9	124.084	C7	C6	H14	134.003
N8	C4	H12	124.084	N8	C5	H13	134.003

All results from a given calculation for C₈H₆ (benzocyclobutadiene)

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 C8H6 (benzocyclobutadiene)

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

States and conformations

All results from a given calculation for C₈H₆ (benzocyclobutadiene)