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	hartrees
Energy at 0K	-446.423255
Energy at 298.15K
HF Energy	-445.003127
Nuclear repulsion energy	374.470911

Atom	y (Å)	z (Å)
C1	0.000	0.679
C2	0.000	-0.679
C3	1.229	1.436
C4	-1.229	1.436
C5	1.229	-1.436
C6	-1.229	-1.436
N7	2.206	2.053
N8	-2.206	2.053
N9	2.206	-2.053
N10	-2.206	-2.053

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3571	1.4433	1.4433	2.4455	2.4455	2.5994	2.5994	3.5114	3.5114
C2	1.3571		2.4455	2.4455	1.4433	1.4433	3.5114	3.5114	2.5994	2.5994
C3	1.4433	2.4455		2.4572	2.8719	3.7796	1.1561	3.4896	3.6237	4.8962
C4	1.4433	2.4455	2.4572		3.7796	2.8719	3.4896	1.1561	4.8962	3.6237
C5	2.4455	1.4433	2.8719	3.7796		2.4572	3.6237	4.8962	1.1561	3.4896
C6	2.4455	1.4433	3.7796	2.8719	2.4572		4.8962	3.6237	3.4896	1.1561
N7	2.5994	3.5114	1.1561	3.4896	3.6237	4.8962		4.4120	4.1069	6.0276
N8	2.5994	3.5114	3.4896	1.1561	4.8962	3.6237	4.4120		6.0276	4.1069
N9	3.5114	2.5994	3.6237	4.8962	1.1561	3.4896	4.1069	6.0276		4.4120
N10	3.5114	2.5994	4.8962	3.6237	3.4896	1.1561	6.0276	4.1069	4.4120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.653	C1	C2	C6	121.653
C1	C3	N7	179.369	C1	C4	N8	179.369
C2	C1	C3	121.653	C2	C1	C4	121.653
C2	C5	N9	179.369	C2	C6	N10	179.369
C3	C1	C4	116.694	C5	C2	C6	116.694

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: CCD/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: CCD/6-311G*

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)