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	hartrees
Energy at 0K	-316.378932
Energy at 298.15K
HF Energy	-315.314476
Nuclear repulsion energy	210.401002

Atom	x (Å)	y (Å)	z (Å)
C1	-0.009	-0.055	0.000
C2	-0.009	1.289	0.000
N3	0.146	2.499	0.000
C4	-0.009	-0.766	1.249
C5	-0.009	-0.766	-1.249
N6	-0.009	-1.345	2.271
N7	-0.009	-1.345	-2.271
H8	-0.666	3.125	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3439	2.5591	1.4375	1.4375	2.6117	2.6117	3.2473
C2	1.3439		1.2204	2.4050	2.4050	3.4775	3.4775	1.9501
N3	2.5591	1.2204		3.4998	3.4998	4.4674	4.4674	1.0245
C4	1.4375	2.4050	3.4998		2.4984	1.1742	3.5675	4.1394
C5	1.4375	2.4050	3.4998	2.4984		3.5675	1.1742	4.1394
N6	2.6117	3.4775	4.4674	1.1742	3.5675		4.5423	5.0564
N7	2.6117	3.4775	4.4674	3.5675	1.1742	4.5423		5.0564
H8	3.2473	1.9501	1.0245	4.1394	4.1394	5.0564	5.0564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.706	C1	C4	N6	179.852
C1	C5	N7	179.852	C2	C1	C4	119.653
C2	C1	C5	119.653	C2	N3	H8	120.358
C4	C1	C5	120.694

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/6-31G*

States and conformations

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