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	hartrees
Energy at 0K	-314.124281
Energy at 298.15K
HF Energy	-313.558417
Nuclear repulsion energy	212.611375

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-0.052	0.000
C2	0.002	1.284	0.000
N3	0.078	2.474	0.000
C4	0.002	-0.763	1.237
C5	0.002	-0.763	-1.237
N6	0.002	-1.341	2.240
N7	0.002	-1.341	-2.240
H8	-0.617	3.209	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3358	2.5263	1.4267	1.4267	2.5846	2.5846	3.3184
C2	1.3358		1.1918	2.3916	2.3916	3.4508	3.4508	2.0215
N3	2.5263	1.1918		3.4654	3.4654	4.4241	4.4241	1.0120
C4	1.4267	2.3916	3.4654		2.4736	1.1579	3.5246	4.2052
C5	1.4267	2.3916	3.4654	2.4736		3.5246	1.1579	4.2052
N6	2.5846	3.4508	4.4241	1.1579	3.5246		4.4802	5.1085
N7	2.5846	3.4508	4.4241	3.5246	1.1579	4.4802		5.1085
H8	3.3184	2.0215	1.0120	4.2052	4.2052	5.1085	5.1085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	176.323	C1	C4	N6	179.952
C1	C5	N7	179.952	C2	C1	C4	119.898
C2	C1	C5	119.898	C2	N3	H8	132.893
C4	C1	C5	120.204

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

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

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