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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3448	3288	71.27
2	A'	2524	2407	77.42
3	A'	1683	1605	17.67
4	A'	1296	1236	1.40
5	A'	765	730	238.09
6	A'	527	503	27.77
7	A"	3413	3254	64.71
8	A"	1265	1206	6.42
9	A"	502	478	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.221	0.000
N2	0.071	1.389	0.000
N3	0.033	-1.141	0.000
H4	-0.364	-1.530	0.833
H5	-0.364	-1.530	-0.833

	C1	N2	N3	H4	H5
C1		1.1697	1.3624	1.9732	1.9732
N2	1.1697		2.5298	3.0664	3.0664
N3	1.3624	2.5298		1.0014	1.0014
H4	1.9732	3.0664	1.0014		1.6664
H5	1.9732	3.0664	1.0014	1.6664

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	112.283		C1	N3	H5	112.283
N2	C1	N3	175.134		H4	N3	H5	112.619

	hartrees
Energy at 0K
Energy at 298.15K	0.049940
HF Energy	0.049940
Nuclear repulsion energy	46.995972

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: AM1

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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3540	3375	154.19
2	A₁	2522	2405	155.34
3	A₁	1660	1583	41.66
4	A₁	1343	1281	12.87
5	B₁	542	516	1.58
6	B₁	525i	501i	573.52
7	B₂	3530	3366	152.65
8	B₂	1196	1141	0.13
9	B₂	500	477	2.52

Atom	y (Å)	z (Å)
C1	0.000	0.219
N2	0.000	1.391
N3	0.000	-1.120
H4	0.860	-1.604
H5	-0.860	-1.604

	C1	N2	N3	H4	H5
C1		1.1714	1.3392	2.0158	2.0158
N2	1.1714		2.5106	3.1156	3.1156
N3	1.3392	2.5106		0.9870	0.9870
H4	2.0158	3.1156	0.9870		1.7205
H5	2.0158	3.1156	0.9870	1.7205

All results from a given calculation for NH2CN (cyanamide)

using model chemistry: AM1

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)