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	hartrees
Energy at 0K	-446.070740
Energy at 298.15K
HF Energy	-445.012133
Nuclear repulsion energy	378.320498

Atom	y (Å)	z (Å)
C1	0.000	0.670
C2	0.000	-0.670
C3	1.220	1.423
C4	-1.220	1.423
C5	1.220	-1.423
C6	-1.220	-1.423
N7	2.182	2.034
N8	-2.182	2.034
N9	2.182	-2.034
N10	-2.182	-2.034

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3393	1.4338	1.4338	2.4223	2.4223	2.5731	2.5731	3.4740	3.4740
C2	1.3393		2.4223	2.4223	1.4338	1.4338	3.4740	3.4740	2.5731	2.5731
C3	1.4338	2.4223		2.4399	2.8461	3.7488	1.1394	3.4562	3.5880	4.8499
C4	1.4338	2.4223	2.4399		3.7488	2.8461	3.4562	1.1394	4.8499	3.5880
C5	2.4223	1.4338	2.8461	3.7488		2.4399	3.5880	4.8499	1.1394	3.4562
C6	2.4223	1.4338	3.7488	2.8461	2.4399		4.8499	3.5880	3.4562	1.1394
N7	2.5731	3.4740	1.1394	3.4562	3.5880	4.8499		4.3638	4.0672	5.9653
N8	2.5731	3.4740	3.4562	1.1394	4.8499	3.5880	4.3638		5.9653	4.0672
N9	3.4740	2.5731	3.5880	4.8499	1.1394	3.4562	4.0672	5.9653		4.3638
N10	3.4740	2.5731	4.8499	3.5880	3.4562	1.1394	5.9653	4.0672	4.3638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.697	C1	C2	C6	121.697
C1	C3	N7	179.294	C1	C4	N8	179.294
C2	C1	C3	121.697	C2	C1	C4	121.697
C2	C5	N9	179.294	C2	C6	N10	179.294
C3	C1	C4	116.606	C5	C2	C6	116.606

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)