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	hartrees
Energy at 0K	-316.391952
Energy at 298.15K
HF Energy	-315.388402
Nuclear repulsion energy	211.719354

Atom	x (Å)	y (Å)	z (Å)
C1	-0.006	-0.051	0.000
C2	-0.006	1.286	0.000
N3	0.130	2.485	0.000
C4	-0.006	-0.765	1.249
C5	-0.006	-0.765	-1.249
N6	-0.006	-1.337	2.256
N7	-0.006	-1.337	-2.256
H8	-0.680	3.099	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3369	2.5400	1.4382	1.4382	2.5969	2.5969	3.2216
C2	1.3369		1.2071	2.4008	2.4008	3.4596	3.4596	1.9346
N3	2.5400	1.2071		3.4842	3.4842	4.4404	4.4404	1.0165
C4	1.4382	2.4008	3.4842		2.4974	1.1586	3.5514	4.1162
C5	1.4382	2.4008	3.4842	2.4974		3.5514	1.1586	4.1162
N6	2.5969	3.4596	4.4404	1.1586	3.5514		4.5126	5.0222
N7	2.5969	3.4596	4.4404	3.5514	1.1586	4.5126		5.0222
H8	3.2216	1.9346	1.0165	4.1162	4.1162	5.0222	5.0222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.527	C1	C4	N6	179.839
C1	C5	N7	179.839	C2	C1	C4	119.746
C2	C1	C5	119.746	C2	N3	H8	120.680
C4	C1	C5	120.507

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

using model chemistry: CCD/6-311G*

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/6-311G*

States and conformations

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