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	hartrees
Energy at 0K	-316.353750
Energy at 298.15K
HF Energy	-315.446067
Nuclear repulsion energy	214.591391

Atom	x (Å)	y (Å)	z (Å)
C1	-0.002	-0.057	0.000
C2	-0.002	1.268	0.000
N3	0.106	2.446	0.000
C4	-0.002	-0.758	1.240
C5	-0.002	-0.758	-1.240
N6	-0.002	-1.312	2.233
N7	-0.002	-1.312	-2.233
H8	-0.680	3.069	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3247	2.5057	1.4243	1.4243	2.5615	2.5615	3.1988
C2	1.3247		1.1837	2.3750	2.3750	3.4117	3.4117	1.9248
N3	2.5057	1.1837		3.4376	3.4376	4.3728	4.3728	1.0028
C4	1.4243	2.3750	3.4376		2.4799	1.1372	3.5171	4.0796
C5	1.4243	2.3750	3.4376	2.4799		3.5171	1.1372	4.0796
N6	2.5615	3.4117	4.3728	1.1372	3.5171		4.4667	4.9636
N7	2.5615	3.4117	4.3728	3.5171	1.1372	4.4667		4.9636
H8	3.1988	1.9248	1.0028	4.0796	4.0796	4.9636	4.9636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.770	C1	C4	N6	179.649
C1	C5	N7	179.649	C2	C1	C4	119.479
C2	C1	C5	119.479	C2	N3	H8	123.158
C4	C1	C5	121.041

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

using model chemistry: CID/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: CID/Def2TZVPP

States and conformations

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