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	hartrees
Energy at 0K	-316.311827
Energy at 298.15K
HF Energy	-315.345509
Nuclear repulsion energy	210.146557

Atom	x (Å)	y (Å)	z (Å)
C1	-0.005	-0.051	0.000
C2	-0.005	1.294	0.000
N3	0.130	2.507	0.000
C4	-0.005	-0.769	1.256
C5	-0.005	-0.769	-1.256
N6	-0.005	-1.347	2.273
N7	-0.005	-1.347	-2.273
H8	-0.723	3.078	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3455	2.5613	1.4470	1.4470	2.6163	2.6163	3.2103
C2	1.3455		1.2198	2.4159	2.4159	3.4846	3.4846	1.9226
N3	2.5613	1.2198		3.5110	3.5110	4.4759	4.4759	1.0271
C4	1.4470	2.4159	3.5110		2.5125	1.1693	3.5762	4.1101
C5	1.4470	2.4159	3.5110	2.5125		3.5762	1.1693	4.1101
N6	2.6163	3.4846	4.4759	1.1693	3.5762		4.5459	5.0259
N7	2.6163	3.4846	4.4759	3.5762	1.1693	4.5459		5.0259
H8	3.2103	1.9226	1.0271	4.1101	4.1101	5.0259	5.0259

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.633	C1	C4	N6	179.855
C1	C5	N7	179.855	C2	C1	C4	119.751
C2	C1	C5	119.751	C2	N3	H8	117.417
C4	C1	C5	120.497

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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