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	hartrees
Energy at 0K	-147.084641
Energy at 298.15K	-147.086957
HF Energy	-147.084641
Nuclear repulsion energy	59.978397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3777	3420	77.26
2	A₁	2544	2304	111.21
3	A₁	1802	1632	82.75
4	A₁	1173	1062	11.03
5	B₁	603	546	91.60
6	B₁	428	388	437.36
7	B₂	3894	3527	102.29
8	B₂	1282	1161	6.10
9	B₂	491	445	0.11

Atom	y (Å)	z (Å)
C1	0.000	0.223
N2	0.000	1.368
N3	0.000	-1.101
H4	0.859	-1.606
H5	-0.859	-1.606

	C1	N2	N3	H4	H5
C1		1.1448	1.3243	2.0208	2.0208
N2	1.1448		2.4691	3.0955	3.0955
N3	1.3243	2.4691		0.9963	0.9963
H4	2.0208	3.0955	0.9963		1.7178
H5	2.0208	3.0955	0.9963	1.7178

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.449		C1	N3	H5	120.449
N2	C1	N3	180.000		H4	N3	H5	119.102

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: HF/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	0.671
2	N	-0.477
3	N	-0.956
4	H	0.381
5	H	0.381

	x	y	z	Total
	0.000	0.000	-4.686	4.686
CHELPG
AIM
ESP

<r²>	39.187
(<r²>)^1/2	6.260

All results from a given calculation for NH2CN (cyanamide)

using model chemistry: HF/3-21G

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)