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	hartrees
Energy at 0K	-316.401033
Energy at 298.15K
HF Energy	-315.392519
Nuclear repulsion energy	211.709586

Atom	x (Å)	y (Å)	z (Å)
C1	-0.005	-0.051	0.000
C2	-0.005	1.285	0.000
N3	0.126	2.487	0.000
C4	-0.005	-0.765	1.249
C5	-0.005	-0.765	-1.249
N6	-0.005	-1.337	2.256
N7	-0.005	-1.337	-2.256
H8	-0.709	3.070	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3361	2.5414	1.4386	1.4386	2.5971	2.5971	3.1992
C2	1.3361		1.2090	2.4005	2.4005	3.4594	3.4594	1.9186
N3	2.5414	1.2090		3.4860	3.4860	4.4422	4.4422	1.0180
C4	1.4386	2.4005	3.4860		2.4978	1.1586	3.5516	4.0939
C5	1.4386	2.4005	3.4860	2.4978		3.5516	1.1586	4.0939
N6	2.5971	3.4594	4.4422	1.1586	3.5516		4.5124	5.0008
N7	2.5971	3.4594	4.4422	3.5516	1.1586	4.5124		5.0008
H8	3.1992	1.9186	1.0180	4.0939	4.0939	5.0008	5.0008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.814	C1	C4	N6	179.853
C1	C5	N7	179.853	C2	C1	C4	119.754
C2	C1	C5	119.754	C2	N3	H8	118.727
C4	C1	C5	120.492

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)