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	hartrees
Energy at 0K	-148.362507
Energy at 298.15K
HF Energy	-147.942690
Nuclear repulsion energy	59.729605

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3768	3501	73.32
2	A₁	2464	2289	132.90
3	A₁	1724	1602	63.51
4	A₁	1160	1077	13.17
5	B₁	556	517	1.33
6	B₁	511i	474i	361.17
7	B₂	3890	3615	87.95
8	B₂	1201	1116	4.29
9	B₂	432	402	0.01

Atom	y (Å)	z (Å)
C1	0.000	0.223
N2	0.000	1.375
N3	0.000	-1.106
H4	0.860	-1.610
H5	-0.860	-1.610

	C1	N2	N3	H4	H5
C1		1.1515	1.3297	2.0249	2.0249
N2	1.1515		2.4811	3.1061	3.1061
N3	1.3297	2.4811		0.9967	0.9967
H4	2.0249	3.1061	0.9967		1.7204
H5	2.0249	3.1061	0.9967	1.7204

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.339		C1	N3	H5	120.339
N2	C1	N3	180.000		H4	N3	H5	119.323

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)