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	hartrees
Energy at 0K	-446.335440
Energy at 298.15K
HF Energy	-444.920447
Nuclear repulsion energy	374.676420

Atom	x (Å)	y (Å)
C1	0.000	0.679
C2	-0.000	-0.679
C3	-1.226	1.436
C4	1.226	1.436
C5	-1.226	-1.436
C6	1.226	-1.436
N7	-2.205	2.056
N8	2.205	2.056
N9	-2.205	-2.056
N10	2.205	-2.056

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3570	1.4415	1.4415	2.4446	2.4446	2.5996	2.5996	3.5126	3.5126
C2	1.3570		2.4446	2.4446	1.4415	1.4415	3.5126	3.5126	2.5996	2.5996
C3	1.4415	2.4446		2.4524	2.8727	3.7771	1.1581	3.4863	3.6269	4.8956
C4	1.4415	2.4446	2.4524		3.7771	2.8727	3.4863	1.1581	4.8956	3.6269
C5	2.4446	1.4415	2.8727	3.7771		2.4524	3.6269	4.8956	1.1581	3.4863
C6	2.4446	1.4415	3.7771	2.8727	2.4524		4.8956	3.6269	3.4863	1.1581
N7	2.5996	3.5126	1.1581	3.4863	3.6269	4.8956		4.4092	4.1121	6.0291
N8	2.5996	3.5126	3.4863	1.1581	4.8956	3.6269	4.4092		6.0291	4.1121
N9	3.5126	2.5996	3.6269	4.8956	1.1581	3.4863	4.1121	6.0291		4.4092
N10	3.5126	2.5996	4.8956	3.6269	3.4863	1.1581	6.0291	4.1121	4.4092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.718	C1	C2	C6	121.718
C1	C3	N7	179.370	C1	C4	N8	179.370
C2	C1	C3	121.718	C2	C1	C4	121.718
C2	C5	N9	179.369	C2	C6	N10	179.370
C3	C1	C4	116.564	C5	C2	C6	116.564

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)