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	hartrees
Energy at 0K	-148.573489
Energy at 298.15K	-148.575687
HF Energy	-148.573489
Nuclear repulsion energy	59.100736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3666	3507	66.12
2	A₁	2350	2248	120.43
3	A₁	1693	1620	78.28
4	A₁	1147	1097	7.70
5	B₁	528	505	284.84
6	B₁	457	437	209.50
7	B₂	3790	3626	78.68
8	B₂	1189	1137	7.63
9	B₂	401	384	0.99

Atom	y (Å)	z (Å)
C1	0.000	0.216
N2	0.000	1.393
N3	0.000	-1.114
H4	0.864	-1.627
H5	-0.864	-1.627

	C1	N2	N3	H4	H5
C1		1.1769	1.3298	2.0356	2.0356
N2	1.1769		2.5067	3.1413	3.1413
N3	1.3298	2.5067		1.0047	1.0047
H4	2.0356	3.1413	1.0047		1.7272
H5	2.0356	3.1413	1.0047	1.7272

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.738		C1	N3	H5	120.738
N2	C1	N3	180.000		H4	N3	H5	118.524

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: HSEh1PBE/6-31G

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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Number	Element	Mulliken
1	C	0.296
2	N	-0.246
3	N	-0.810
4	H	0.380
5	H	0.380

	x	y	z	Total
	0.000	0.000	-4.811	4.811
CHELPG
AIM
ESP

<r²>	39.926
(<r²>)^1/2	6.319

All results from a given calculation for NH2CN (cyanamide)

using model chemistry: HSEh1PBE/6-31G

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)