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	hartrees
Energy at 0K	-316.323373
Energy at 298.15K
HF Energy	-315.344333
Nuclear repulsion energy	209.880361

Atom	x (Å)	y (Å)	z (Å)
C1	-0.005	-0.053	0.000
C2	-0.005	1.295	0.000
N3	0.132	2.509	0.000
C4	-0.005	-0.770	1.257
C5	-0.005	-0.770	-1.257
N6	-0.005	-1.347	2.277
N7	-0.005	-1.347	-2.277
H8	-0.720	3.083	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3484	2.5657	1.4472	1.4472	2.6191	2.6191	3.2167
C2	1.3484		1.2214	2.4176	2.4176	3.4881	3.4881	1.9255
N3	2.5657	1.2214		3.5141	3.5141	4.4801	4.4801	1.0276
C4	1.4472	2.4176	3.5141		2.5149	1.1719	3.5816	4.1153
C5	1.4472	2.4176	3.5141	2.5149		3.5816	1.1719	4.1153
N6	2.6191	3.4881	4.4801	1.1719	3.5816		4.5546	5.0321
N7	2.6191	3.4881	4.4801	3.5816	1.1719	4.5546		5.0321
H8	3.2167	1.9255	1.0276	4.1153	4.1153	5.0321	5.0321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.538	C1	C4	N6	179.835
C1	C5	N7	179.835	C2	C1	C4	119.674
C2	C1	C5	119.674	C2	N3	H8	117.513
C4	C1	C5	120.653

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

using model chemistry: CCSD/cc-pVDZ

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/cc-pVDZ

States and conformations

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