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	hartrees
Energy at 0K	-316.376282
Energy at 298.15K
HF Energy	-315.325522
Nuclear repulsion energy	210.059704

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	-0.054	0.000
C2	-0.014	1.293	0.000
N3	0.168	2.502	0.000
C4	-0.014	-0.767	1.251
C5	-0.014	-0.767	-1.251
N6	-0.014	-1.348	2.274
N7	-0.014	-1.348	-2.274
H8	-0.631	3.136	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3468	2.5626	1.4399	1.4399	2.6163	2.6163	3.2495
C2	1.3468		1.2229	2.4100	2.4100	3.4847	3.4847	1.9440
N3	2.5626	1.2229		3.5051	3.5051	4.4749	4.4749	1.0198
C4	1.4399	2.4100	3.5051		2.5018	1.1764	3.5726	4.1453
C5	1.4399	2.4100	3.5051	2.5018		3.5726	1.1764	4.1453
N6	2.6163	3.4847	4.4749	1.1764	3.5726		4.5483	5.0654
N7	2.6163	3.4847	4.4749	3.5726	1.1764	4.5483		5.0654
H8	3.2495	1.9440	1.0198	4.1453	4.1453	5.0654	5.0654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	171.442	C1	C4	N6	179.876
C1	C5	N7	179.876	C2	C1	C4	119.686
C2	C1	C5	119.686	C2	N3	H8	119.911
C4	C1	C5	120.628

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

using model chemistry: CCSD(T)/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 HN=C=C(CN)2 (Dicyanoketenimine)

using model chemistry: CCSD(T)/6-31+G**

States and conformations

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