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	hartrees
Energy at 0K	-316.479008
Energy at 298.15K
HF Energy	-315.351328
Nuclear repulsion energy	211.965027

Atom	x (Å)	y (Å)	z (Å)
C1	-0.005	-0.056	0.000
C2	-0.005	1.279	0.000
N3	0.126	2.479	0.000
C4	-0.005	-0.763	1.247
C5	-0.005	-0.763	-1.247
N6	-0.005	-1.331	2.259
N7	-0.005	-1.331	-2.259
H8	-0.681	3.095	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3348	2.5377	1.4331	1.4331	2.5938	2.5938	3.2221
C2	1.3348		1.2067	2.3922	2.3922	3.4515	3.4515	1.9373
N3	2.5377	1.2067		3.4752	3.4752	4.4306	4.4306	1.0151
C4	1.4331	2.3922	3.4752		2.4933	1.1607	3.5512	4.1098
C5	1.4331	2.3922	3.4752	2.4933		3.5512	1.1607	4.1098
N6	2.5938	3.4515	4.4306	1.1607	3.5512		4.5176	5.0143
N7	2.5938	3.4515	4.4306	3.5512	1.1607	4.5176		5.0143
H8	3.2221	1.9373	1.0151	4.1098	4.1098	5.0143	5.0143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.760	C1	C4	N6	179.744
C1	C5	N7	179.744	C2	C1	C4	119.557
C2	C1	C5	119.557	C2	N3	H8	121.131
C4	C1	C5	120.886

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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