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	hartrees
Energy at 0K	-316.101935
Energy at 298.15K
HF Energy	-315.323508
Nuclear repulsion energy	212.963285

Atom	x (Å)	y (Å)	z (Å)
C1	-0.003	-0.056	0.000
C2	-0.003	1.275	0.000
N3	0.114	2.467	0.000
C4	-0.003	-0.762	1.244
C5	-0.003	-0.762	-1.244
N6	-0.003	-1.324	2.248
N7	-0.003	-1.324	-2.248
H8	-0.681	3.091	0.000

	C1	C2	N3	C4	C5	N6	N7	H8
C1		1.3315	2.5256	1.4307	1.4307	2.5811	2.5811	3.2194
C2	1.3315		1.1972	2.3873	2.3873	3.4367	3.4367	1.9382
N3	2.5256	1.1972		3.4623	3.4623	4.4088	4.4088	1.0109
C4	1.4307	2.3873	3.4623		2.4889	1.1504	3.5376	4.1054
C5	1.4307	2.3873	3.4623	2.4889		3.5376	1.1504	4.1054
N6	2.5811	3.4367	4.4088	1.1504	3.5376		4.4965	5.0007
N7	2.5811	3.4367	4.4088	3.5376	1.1504	4.4965		5.0007
H8	3.2194	1.9382	1.0109	4.1054	4.1054	5.0007	5.0007

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N3	174.382	C1	C4	N6	179.681
C1	C5	N7	179.681	C2	C1	C4	119.561
C2	C1	C5	119.561	C2	N3	H8	122.521
C4	C1	C5	120.878

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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