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	hartrees
Energy at 0K	-147.920754
Energy at 298.15K	-147.922858
HF Energy	-147.920754
Nuclear repulsion energy	58.540765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3434	3415	37.11
2	A₁	2224	2212	66.35
3	A₁	1634	1625	57.87
4	A₁	1078	1072	8.42
5	B₁	540	537	11.66
6	B₁	316	315	386.65
7	B₂	3534	3515	48.68
8	B₂	1143	1136	3.72
9	B₂	454	452	1.77

Atom	y (Å)	z (Å)
C1	0.000	0.218
N2	0.000	1.405
N3	0.000	-1.122
H4	0.878	-1.644
H5	-0.878	-1.644

	C1	N2	N3	H4	H5
C1		1.1866	1.3409	2.0588	2.0588
N2	1.1866		2.5275	3.1728	3.1728
N3	1.3409	2.5275		1.0210	1.0210
H4	2.0588	3.1728	1.0210		1.7556
H5	2.0588	3.1728	1.0210	1.7556

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.713		C1	N3	H5	120.713
N2	C1	N3	180.000		H4	N3	H5	118.574

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: BLYP/3-21G

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	0.535
2	N	-0.427
3	N	-0.750
4	H	0.321
5	H	0.321

	x	y	z	Total
	0.000	0.000	-4.565	4.565
CHELPG
AIM
ESP

<r²>	40.231
(<r²>)^1/2	6.343

All results from a given calculation for NH2CN (cyanamide)

using model chemistry: BLYP/3-21G

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)