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	hartrees
Energy at 0K	-316.663758
Energy at 298.15K
HF Energy	-315.437438
Nuclear repulsion energy	211.536079

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	-0.056	0.000
C2	-0.008	1.284	0.000
N3	0.139	2.485	0.000
C4	-0.008	-0.764	1.247
C5	-0.008	-0.764	-1.247
N6	-0.008	-1.336	2.261
N7	-0.008	-1.336	-2.261
H8	-0.667	3.105	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3400	2.5450	1.4339	1.4339	2.5978	2.5978	3.2287
C2	1.3400		1.2097	2.3975	2.3975	3.4602	3.4602	1.9363
N3	2.5450	1.2097		3.4827	3.4827	4.4416	4.4416	1.0162
C4	1.4339	2.3975	3.4827		2.4942	1.1639	3.5542	4.1176
C5	1.4339	2.3975	3.4827	2.4942		3.5542	1.1639	4.1176
N6	2.5978	3.4602	4.4416	1.1639	3.5542		4.5216	5.0261
N7	2.5978	3.4602	4.4416	3.5542	1.1639	4.5216		5.0261
H8	3.2287	1.9363	1.0162	4.1176	4.1176	5.0261	5.0261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.044	C1	C4	N6	179.855
C1	C5	N7	179.855	C2	C1	C4	119.573
C2	C1	C5	119.573	C2	N3	H8	120.645
C4	C1	C5	120.853

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

using model chemistry: CCSD(T)/Def2TZVPP

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)/Def2TZVPP

States and conformations

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