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	hartrees
Energy at 0K	-445.714065
Energy at 298.15K
HF Energy	-444.687591
Nuclear repulsion energy	369.541784

Atom	y (Å)	z (Å)
C1	0.000	0.686
C2	0.000	-0.686
C3	1.237	1.451
C4	-1.237	1.451
C5	1.237	-1.451
C6	-1.237	-1.451
N7	2.239	2.070
N8	-2.239	2.070
N9	2.239	-2.070
N10	-2.239	-2.070

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3727	1.4537	1.4537	2.4691	2.4691	2.6322	2.6322	3.5513	3.5513
C2	1.3727		2.4691	2.4691	1.4537	1.4537	3.5513	3.5513	2.6322	2.6322
C3	1.4537	2.4691		2.4730	2.9016	3.8125	1.1785	3.5303	3.6609	4.9474
C4	1.4537	2.4691	2.4730		3.8125	2.9016	3.5303	1.1785	4.9474	3.6609
C5	2.4691	1.4537	2.9016	3.8125		2.4730	3.6609	4.9474	1.1785	3.5303
C6	2.4691	1.4537	3.8125	2.9016	2.4730		4.9474	3.6609	3.5303	1.1785
N7	2.6322	3.5513	1.1785	3.5303	3.6609	4.9474		4.4782	4.1403	6.0989
N8	2.6322	3.5513	3.5303	1.1785	4.9474	3.6609	4.4782		6.0989	4.1403
N9	3.5513	2.6322	3.6609	4.9474	1.1785	3.5303	4.1403	6.0989		4.4782
N10	3.5513	2.6322	4.9474	3.6609	3.5303	1.1785	6.0989	4.1403	4.4782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.726	C1	C2	C6	121.726
C1	C3	N7	179.981	C1	C4	N8	179.981
C2	C1	C3	121.726	C2	C1	C4	121.726
C2	C5	N9	179.981	C2	C6	N10	179.981
C3	C1	C4	116.549	C5	C2	C6	116.549

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: QCISD/6-31G

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 C6N4 (Tetracyanoethylene)

using model chemistry: QCISD/6-31G

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)