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	hartrees
Energy at 0K	-316.298858
Energy at 298.15K
HF Energy	-315.323023
Nuclear repulsion energy	211.168012

Atom	x (Å)	y (Å)	z (Å)
C1	-0.007	-0.051	0.000
C2	-0.007	1.286	0.000
N3	0.134	2.492	0.000
C4	-0.007	-0.765	1.249
C5	-0.007	-0.765	-1.249
N6	-0.007	-1.341	2.263
N7	-0.007	-1.341	-2.263
H8	-0.685	3.094	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3369	2.5470	1.4389	1.4389	2.6044	2.6044	3.2172
C2	1.3369		1.2143	2.4016	2.4016	3.4669	3.4669	1.9311
N3	2.5470	1.2143		3.4915	3.4915	4.4532	4.4532	1.0161
C4	1.4389	2.4016	3.4915		2.4981	1.1656	3.5585	4.1126
C5	1.4389	2.4016	3.4915	2.4981		3.5585	1.1656	4.1126
N6	2.6044	3.4669	4.4532	1.1656	3.5585		4.5251	5.0246
N7	2.6044	3.4669	4.4532	3.5585	1.1656	4.5251		5.0246
H8	3.2172	1.9311	1.0161	4.1126	4.1126	5.0246	5.0246

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.370	C1	C4	N6	179.829
C1	C5	N7	179.829	C2	C1	C4	119.765
C2	C1	C5	119.765	C2	N3	H8	119.683
C4	C1	C5	120.471

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

using model chemistry: CCD/6-31G**

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/6-31G**

States and conformations

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