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	hartrees
Energy at 0K	-148.565525
Energy at 298.15K
HF Energy	-147.966165
Nuclear repulsion energy	59.671568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3701	3509	75.58
2	A₁	2387	2263	116.01
3	A₁	1664	1578	46.97
4	A₁	1137	1078	16.16
5	B₁	536	508	0.51
6	B₁	468i	444i	257.53
7	B₂	3819	3620	96.68
8	B₂	1158	1098	1.62
9	B₂	405	384	0.00

Atom	y (Å)	z (Å)
C1	0.000	0.221
N2	0.000	1.377
N3	0.000	-1.107
H4	0.861	-1.609
H5	-0.861	-1.609

	C1	N2	N3	H4	H5
C1		1.1558	1.3277	2.0226	2.0226
N2	1.1558		2.4835	3.1076	3.1076
N3	1.3277	2.4835		0.9971	0.9971
H4	2.0226	3.1076	0.9971		1.7225
H5	2.0226	3.1076	0.9971	1.7225

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.256		C1	N3	H5	120.256
N2	C1	N3	180.000		H4	N3	H5	119.488

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: CCSD=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)