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	hartrees
Energy at 0K	-316.423836
Energy at 298.15K
HF Energy	-315.418302
Nuclear repulsion energy	212.481315

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	-0.047	0.000
C2	-0.008	1.283	0.000
N3	0.139	2.478	0.000
C4	-0.008	-0.762	1.242
C5	-0.008	-0.762	-1.242
N6	-0.008	-1.336	2.244
N7	-0.008	-1.336	-2.244
H8	-0.675	3.086	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3299	2.5296	1.4332	1.4332	2.5881	2.5881	3.2032
C2	1.3299		1.2044	2.3923	2.3923	3.4489	3.4489	1.9226
N3	2.5296	1.2044		3.4731	3.4731	4.4279	4.4279	1.0156
C4	1.4332	2.3923	3.4731		2.4848	1.1549	3.5337	4.0978
C5	1.4332	2.3923	3.4731	2.4848		3.5337	1.1549	4.0978
N6	2.5881	3.4489	4.4279	1.1549	3.5337		4.4887	5.0034
N7	2.5881	3.4489	4.4279	3.5337	1.1549	4.4887		5.0034
H8	3.2032	1.9226	1.0156	4.0978	4.0978	5.0034	5.0034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.025	C1	C4	N6	179.912
C1	C5	N7	179.912	C2	C1	C4	119.906
C2	C1	C5	119.906	C2	N3	H8	119.766
C4	C1	C5	120.188

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

using model chemistry: CCD/TZVP

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/TZVP

States and conformations

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