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	hartrees
Energy at 0K	-316.350776
Energy at 298.15K
HF Energy	-315.313274
Nuclear repulsion energy	210.076593

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.056	0.000
C2	-0.011	1.291	0.000
N3	0.154	2.502	0.000
C4	-0.011	-0.767	1.251
C5	-0.011	-0.767	-1.251
N6	-0.011	-1.346	2.275
N7	-0.011	-1.346	-2.275
H8	-0.653	3.133	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3461	2.5631	1.4396	1.4396	2.6157	2.6157	3.2531
C2	1.3461		1.2228	2.4085	2.4085	3.4826	3.4826	1.9516
N3	2.5631	1.2228		3.5047	3.5047	4.4737	4.4737	1.0247
C4	1.4396	2.4085	3.5047		2.5025	1.1761	3.5735	4.1467
C5	1.4396	2.4085	3.5047	2.5025		3.5735	1.1761	4.1467
N6	2.6157	3.4826	4.4737	1.1761	3.5735		4.5500	5.0653
N7	2.6157	3.4826	4.4737	3.5735	1.1761	4.5500		5.0653
H8	3.2531	1.9516	1.0247	4.1467	4.1467	5.0653	5.0653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.243	C1	C4	N6	179.852
C1	C5	N7	179.852	C2	C1	C4	119.636
C2	C1	C5	119.636	C2	N3	H8	120.276
C4	C1	C5	120.729

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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