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	hartrees
Energy at 0K	-316.314455
Energy at 298.15K
HF Energy	-315.330460
Nuclear repulsion energy	211.069516

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	-0.050	0.000
C2	-0.010	1.288	0.000
N3	0.149	2.492	0.000
C4	-0.010	-0.766	1.249
C5	-0.010	-0.766	-1.249
N6	-0.010	-1.343	2.262
N7	-0.010	-1.343	-2.262
H8	-0.657	3.112	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3380	2.5472	1.4392	1.4392	2.6055	2.6055	3.2276
C2	1.3380		1.2147	2.4034	2.4034	3.4695	3.4695	1.9354
N3	2.5472	1.2147		3.4925	3.4925	4.4551	4.4551	1.0166
C4	1.4392	2.4034	3.4925		2.4975	1.1663	3.5582	4.1247
C5	1.4392	2.4034	3.4925	2.4975		3.5582	1.1663	4.1247
N6	2.6055	3.4695	4.4551	1.1663	3.5582		4.5247	5.0378
N7	2.6055	3.4695	4.4551	3.5582	1.1663	4.5247		5.0378
H8	3.2276	1.9354	1.0166	4.1247	4.1247	5.0378	5.0378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.478	C1	C4	N6	179.840
C1	C5	N7	179.840	C2	C1	C4	119.810
C2	C1	C5	119.810	C2	N3	H8	120.048
C4	C1	C5	120.381

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

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

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/6-31+G**

States and conformations

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