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	hartrees
Energy at 0K	-316.535111
Energy at 298.15K
HF Energy	-315.348464
Nuclear repulsion energy	211.379986

Atom	x (Å)	y (Å)	z (Å)
C1	-0.007	-0.057	0.000
C2	-0.007	1.282	0.000
N3	0.136	2.485	0.000
C4	-0.007	-0.764	1.247
C5	-0.007	-0.764	-1.247
N6	-0.007	-1.335	2.264
N7	-0.007	-1.335	-2.264
H8	-0.670	3.106	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3392	2.5466	1.4330	1.4330	2.6001	2.6001	3.2321
C2	1.3392		1.2118	2.3957	2.3957	3.4609	3.4609	1.9408
N3	2.5466	1.2118		3.4830	3.4830	4.4436	4.4436	1.0178
C4	1.4330	2.3957	3.4830		2.4935	1.1671	3.5571	4.1195
C5	1.4330	2.3957	3.4830	2.4935		3.5571	1.1671	4.1195
N6	2.6001	3.4609	4.4436	1.1671	3.5571		4.5283	5.0294
N7	2.6001	3.4609	4.4436	3.5571	1.1671	4.5283		5.0294
H8	3.2321	1.9408	1.0178	4.1195	4.1195	5.0294	5.0294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.182	C1	C4	N6	179.795
C1	C5	N7	179.795	C2	C1	C4	119.540
C2	C1	C5	119.540	C2	N3	H8	120.784
C4	C1	C5	120.921

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

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

States and conformations

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