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	hartrees
Energy at 0K	-316.348801
Energy at 298.15K
HF Energy	-315.313630
Nuclear repulsion energy	210.142346

Atom	x (Å)	y (Å)	z (Å)
C1	-0.011	-0.056	0.000
C2	-0.011	1.290	0.000
N3	0.153	2.501	0.000
C4	-0.011	-0.767	1.251
C5	-0.011	-0.767	-1.251
N6	-0.011	-1.346	2.274
N7	-0.011	-1.346	-2.274
H8	-0.656	3.131	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3459	2.5622	1.4394	1.4394	2.6149	2.6149	3.2509
C2	1.3459		1.2221	2.4081	2.4081	3.4817	3.4817	1.9501
N3	2.5622	1.2221		3.5038	3.5038	4.4723	4.4723	1.0249
C4	1.4394	2.4081	3.5038		2.5022	1.1755	3.5726	4.1444
C5	1.4394	2.4081	3.5038	2.5022		3.5726	1.1755	4.1444
N6	2.6149	3.4817	4.4723	1.1755	3.5726		4.5486	5.0625
N7	2.6149	3.4817	4.4723	3.5726	1.1755	4.5486		5.0625
H8	3.2509	1.9501	1.0249	4.1444	4.1444	5.0625	5.0625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	172.294	C1	C4	N6	179.854
C1	C5	N7	179.854	C2	C1	C4	119.635
C2	C1	C5	119.635	C2	N3	H8	120.175
C4	C1	C5	120.729

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

using model chemistry: CCSD(T)/6-31G*

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: CCSD(T)/6-31G*

States and conformations

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