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 H₂CNCN (cyanamide, methylene)

using model chemistry: CCSD(T)=FULL/daug-cc-pVTZ

States and conformations

Geometric Data calculated at CCSD(T)=FULL/daug-cc-pVTZ

Point Group is C_s

Cartesians (Å)

Atom	x (Å)	y (Å)	z (Å)
C1	0.094	-1.545	0.000
N2	-0.628	-0.489	0.000
C3	0.000	0.706	0.000
N4	0.438	1.783	0.000
H5	-0.415	-2.499	0.000
H6	1.181	-1.527	0.000

Atom - Atom Distances (Å)

	C1	N2	C3	N4	H5	H6
C1		1.2789	2.2524	3.3451	1.0815	1.0869
N2	1.2789		1.3498	2.5095	2.0210	2.0857
C3	2.2524	1.3498		1.1627	3.2313	2.5261
N4	3.3451	2.5095	1.1627		4.3657	3.3923
H5	1.0815	2.0210	3.2313	4.3657		1.8683
H6	1.0869	2.0857	2.5261	3.3923	1.8683

More geometry information
Calculated Bond Angles

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	C3	117.900		N2	C1	H5	117.541
N2	C1	H6	123.464		N2	C3	N4	174.419
H5	C1	H6	118.995