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	hartrees
Energy at 0K	-446.684067
Energy at 298.15K
HF Energy	-445.051979
Nuclear repulsion energy	375.492292

Atom	y (Å)	z (Å)
C1	0.000	0.675
C2	0.000	-0.675
C3	1.225	1.429
C4	-1.225	1.429
C5	1.225	-1.429
C6	-1.225	-1.429
N7	2.200	2.048
N8	-2.200	2.048
N9	2.200	-2.048
N10	-2.200	-2.048

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3494	1.4389	1.4389	2.4346	2.4346	2.5929	2.5929	3.4999	3.4999
C2	1.3494		2.4346	2.4346	1.4389	1.4389	3.4999	3.4999	2.5929	2.5929
C3	1.4389	2.4346		2.4507	2.8581	3.7649	1.1541	3.4804	3.6106	4.8803
C4	1.4389	2.4346	2.4507		3.7649	2.8581	3.4804	1.1541	4.8803	3.6106
C5	2.4346	1.4389	2.8581	3.7649		2.4507	3.6106	4.8803	1.1541	3.4804
C6	2.4346	1.4389	3.7649	2.8581	2.4507		4.8803	3.6106	3.4804	1.1541
N7	2.5929	3.4999	1.1541	3.4804	3.6106	4.8803		4.3993	4.0953	6.0104
N8	2.5929	3.4999	3.4804	1.1541	4.8803	3.6106	4.3993		6.0104	4.0953
N9	3.4999	2.5929	3.6106	4.8803	1.1541	3.4804	4.0953	6.0104		4.3993
N10	3.4999	2.5929	4.8803	3.6106	3.4804	1.1541	6.0104	4.0953	4.3993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.616	C1	C2	C6	121.616
C1	C3	N7	179.203	C1	C4	N8	179.203
C2	C1	C3	121.616	C2	C1	C4	121.616
C2	C5	N9	179.203	C2	C6	N10	179.203
C3	C1	C4	116.768	C5	C2	C6	116.768

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)