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	hartrees
Energy at 0K	-314.243278
Energy at 298.15K
HF Energy	-313.552394
Nuclear repulsion energy	210.675722

Atom	x (Å)	y (Å)	z (Å)
C1	-0.001	-0.044	0.000
C2	-0.001	1.296	0.000
N3	0.096	2.503	0.000
C4	-0.001	-0.768	1.243
C5	-0.001	-0.768	-1.243
N6	-0.001	-1.359	2.255
N7	-0.001	-1.359	-2.255
H8	-0.654	3.199	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3397	2.5481	1.4387	1.4387	2.6104	2.6104	3.3077
C2	1.3397		1.2105	2.4092	2.4092	3.4831	3.4831	2.0119
N3	2.5481	1.2105		3.4999	3.4999	4.4725	4.4725	1.0235
C4	1.4387	2.4092	3.4999		2.4864	1.1717	3.5478	4.2078
C5	1.4387	2.4092	3.4999	2.4864		3.5478	1.1717	4.2078
N6	2.6104	3.4831	4.4725	1.1717	3.5478		4.5101	5.1266
N7	2.6104	3.4831	4.4725	3.5478	1.1717	4.5101		5.1266
H8	3.3077	2.0119	1.0235	4.2078	4.2078	5.1266	5.1266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	175.414	C1	C4	N6	179.933
C1	C5	N7	179.933	C2	C1	C4	120.215
C2	C1	C5	120.215	C2	N3	H8	128.278
C4	C1	C5	119.569

All results from a given calculation for HN=C=C(CN)₂ (Dicyanoketenimine)

using model chemistry: CCD/3-21G

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 HN=C=C(CN)2 (Dicyanoketenimine)

using model chemistry: CCD/3-21G

States and conformations

All results from a given calculation for HN=C=C(CN)₂ (Dicyanoketenimine)