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	hartrees
Energy at 0K	-316.593018
Energy at 298.15K
HF Energy	-315.428673
Nuclear repulsion energy	212.201932

Atom	x (Å)	y (Å)	z (Å)
C1	-0.005	-0.055	0.000
C2	-0.005	1.280	0.000
N3	0.127	2.477	0.000
C4	-0.005	-0.763	1.246
C5	-0.005	-0.763	-1.246
N6	-0.005	-1.330	2.255
N7	-0.005	-1.330	-2.255
H8	-0.683	3.086	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3347	2.5357	1.4330	1.4330	2.5905	2.5905	3.2134
C2	1.3347		1.2049	2.3924	2.3924	3.4490	3.4490	1.9294
N3	2.5357	1.2049		3.4737	3.4737	4.4270	4.4270	1.0137
C4	1.4330	2.3924	3.4737		2.4924	1.1575	3.5468	4.1017
C5	1.4330	2.3924	3.4737	2.4924		3.5468	1.1575	4.1017
N6	2.5905	3.4490	4.4270	1.1575	3.5468		4.5098	5.0048
N7	2.5905	3.4490	4.4270	3.5468	1.1575	4.5098		5.0048
H8	3.2134	1.9294	1.0137	4.1017	4.1017	5.0048	5.0048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.678	C1	C4	N6	179.786
C1	C5	N7	179.786	C2	C1	C4	119.585
C2	C1	C5	119.585	C2	N3	H8	120.596
C4	C1	C5	120.830

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

using model chemistry: QCISD/cc-pVTZ

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/cc-pVTZ

States and conformations

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