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	hartrees
Energy at 0K	-316.601984
Energy at 298.15K
HF Energy	-315.440634
Nuclear repulsion energy	212.223456

Atom	x (Å)	y (Å)	z (Å)
C1	-0.005	-0.055	0.000
C2	-0.005	1.280	0.000
N3	0.126	2.477	0.000
C4	-0.005	-0.763	1.247
C5	-0.005	-0.763	-1.247
N6	-0.005	-1.330	2.255
N7	-0.005	-1.330	-2.255
H8	-0.680	3.090	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3350	2.5350	1.4335	1.4335	2.5903	2.5903	3.2166
C2	1.3350		1.2038	2.3931	2.3931	3.4492	3.4492	1.9316
N3	2.5350	1.2038		3.4735	3.4735	4.4264	4.4264	1.0131
C4	1.4335	2.3931	3.4735		2.4930	1.1568	3.5468	4.1053
C5	1.4335	2.3931	3.4735	2.4930		3.5468	1.1568	4.1053
N6	2.5903	3.4492	4.4264	1.1568	3.5468		4.5093	5.0077
N7	2.5903	3.4492	4.4264	3.5468	1.1568	4.5093		5.0077
H8	3.2166	1.9316	1.0131	4.1053	4.1053	5.0077	5.0077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	173.715	C1	C4	N6	179.779
C1	C5	N7	179.779	C2	C1	C4	119.591
C2	C1	C5	119.591	C2	N3	H8	120.979
C4	C1	C5	120.819

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

using model chemistry: QCISD/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/Def2TZVPP

States and conformations

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