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	hartrees
Energy at 0K	-148.401160
Energy at 298.15K
HF Energy	-147.918468
Nuclear repulsion energy	58.649825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3648	3571
2	A₁	2294	2245
3	A₁	1598	1564
4	A₁	1107	1084
5	B₁	488	478
6	B₁	580i	568i
7	B₂	3786	3706
8	B₂	1121	1097
9	B₂	375	367

Atom	y (Å)	z (Å)
C1	0.000	0.220
N2	0.000	1.403
N3	0.000	-1.125
H4	0.875	-1.632
H5	-0.875	-1.632

	C1	N2	N3	H4	H5
C1		1.1824	1.3454	2.0481	2.0481
N2	1.1824		2.5278	3.1578	3.1578
N3	1.3454	2.5278		1.0110	1.0110
H4	2.0481	3.1578	1.0110		1.7502
H5	2.0481	3.1578	1.0110	1.7502

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.052		C1	N3	H5	120.052
N2	C1	N3	180.000		H4	N3	H5	119.896

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: CCSD(T)/cc-pVDZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for NH2CN (cyanamide)

using model chemistry: CCSD(T)/cc-pVDZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)