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	hartrees
Energy at 0K	-316.665814
Energy at 298.15K
HF Energy	-315.437119
Nuclear repulsion energy	211.467642

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	-0.056	0.000
C2	-0.008	1.284	0.000
N3	0.139	2.485	0.000
C4	-0.008	-0.764	1.247
C5	-0.008	-0.764	-1.247
N6	-0.008	-1.336	2.262
N7	-0.008	-1.336	-2.262
H8	-0.666	3.106	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3403	2.5460	1.4341	1.4341	2.5986	2.5986	3.2300
C2	1.3403		1.2104	2.3980	2.3980	3.4610	3.4610	1.9370
N3	2.5460	1.2104		3.4837	3.4837	4.4427	4.4427	1.0162
C4	1.4341	2.3980	3.4837		2.4946	1.1645	3.5555	4.1189
C5	1.4341	2.3980	3.4837	2.4946		3.5555	1.1645	4.1189
N6	2.5986	3.4610	4.4427	1.1645	3.5555		4.5238	5.0276
N7	2.5986	3.4610	4.4427	3.5555	1.1645	4.5238		5.0276
H8	3.2300	1.9370	1.0162	4.1189	4.1189	5.0276	5.0276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.012	C1	C4	N6	179.827
C1	C5	N7	179.827	C2	C1	C4	119.569
C2	C1	C5	119.569	C2	N3	H8	120.656
C4	C1	C5	120.861

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

using model chemistry: QCISD(T)/Def2TZVPP

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)/Def2TZVPP

States and conformations

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