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	hartrees
Energy at 0K	-148.658489
Energy at 298.15K
HF Energy	-148.499861
Nuclear repulsion energy	59.099419

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3664	3484	79.18
2	A₁	2310	2197	132.81
3	A₁	1640	1560	54.67
4	A₁	1122	1067	14.80
5	B₁	500	475	0.00
6	B₁	421i	401i	309.52
7	B₂	3793	3607	109.92
8	B₂	1144	1088	4.03
9	B₂	395	375	0.20

Atom	y (Å)	z (Å)
C1	0.000	0.218
N2	0.000	1.392
N3	0.000	-1.115
H4	0.866	-1.624
H5	-0.866	-1.624

	C1	N2	N3	H4	H5
C1		1.1738	1.3337	2.0360	2.0360
N2	1.1738		2.5075	3.1382	3.1382
N3	1.3337	2.5075		1.0047	1.0047
H4	2.0360	3.1382	1.0047		1.7328
H5	2.0360	3.1382	1.0047	1.7328

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.420		C1	N3	H5	120.420
N2	C1	N3	180.000		H4	N3	H5	119.161

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: B2PLYP=FULL/6-31+G**

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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HF vs MP2 Bad vib. Calc. vs exp. 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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: B2PLYP=FULL/6-31+G**

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)