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	hartrees
Energy at 0K	-446.446373
Energy at 298.15K
HF Energy	-445.000711
Nuclear repulsion energy	373.784664

Atom	y (Å)	z (Å)
C1	0.000	0.679
C2	0.000	-0.679
C3	1.230	1.438
C4	-1.230	1.438
C5	1.230	-1.438
C6	-1.230	-1.438
N7	2.209	2.058
N8	-2.209	2.058
N9	2.209	-2.058
N10	-2.209	-2.058

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3584	1.4448	1.4448	2.4481	2.4481	2.6036	2.6036	3.5169	3.5169
C2	1.3584		2.4481	2.4481	1.4448	1.4448	3.5169	3.5169	2.6036	2.6036
C3	1.4448	2.4481		2.4596	2.8753	3.7837	1.1588	3.4941	3.6297	4.9031
C4	1.4448	2.4481	2.4596		3.7837	2.8753	3.4941	1.1588	4.9031	3.6297
C5	2.4481	1.4448	2.8753	3.7837		2.4596	3.6297	4.9031	1.1588	3.4941
C6	2.4481	1.4448	3.7837	2.8753	2.4596		4.9031	3.6297	3.4941	1.1588
N7	2.6036	3.5169	1.1588	3.4941	3.6297	4.9031		4.4177	4.1150	6.0374
N8	2.6036	3.5169	3.4941	1.1588	4.9031	3.6297	4.4177		6.0374	4.1150
N9	3.5169	2.6036	3.6297	4.9031	1.1588	3.4941	4.1150	6.0374		4.4177
N10	3.5169	2.6036	4.9031	3.6297	3.4941	1.1588	6.0374	4.1150	4.4177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.663	C1	C2	C6	121.663
C1	C3	N7	179.323	C1	C4	N8	179.323
C2	C1	C3	121.663	C2	C1	C4	121.663
C2	C5	N9	179.323	C2	C6	N10	179.323
C3	C1	C4	116.675	C5	C2	C6	116.675

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

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

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)