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	hartrees
Energy at 0K	-148.759880
Energy at 298.15K
HF Energy	-148.759880
Nuclear repulsion energy	59.643757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3668	3668	71.00
2	A₁	2422	2422	141.13
3	A₁	1652	1652	66.00
4	A₁	1150	1150	11.65
5	B₁	551	551	1.38
6	B₁	442i	442i	344.23
7	B₂	3789	3789	94.19
8	B₂	1157	1157	5.22
9	B₂	425	425	0.09

Atom	y (Å)	z (Å)
C1	0.000	0.223
N2	0.000	1.376
N3	0.000	-1.106
H4	0.866	-1.614
H5	-0.866	-1.614

	C1	N2	N3	H4	H5
C1		1.1532	1.3284	2.0306	2.0306
N2	1.1532		2.4816	3.1128	3.1128
N3	1.3284	2.4816		1.0040	1.0040
H4	2.0306	3.1128	1.0040		1.7316
H5	2.0306	3.1128	1.0040	1.7316

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.417		C1	N3	H5	120.417
N2	C1	N3	180.000		H4	N3	H5	119.165

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: M06-2X/6-311G*

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	0.385
2	N	-0.330
3	N	-0.849
4	H	0.397
5	H	0.397

	x	y	z	Total
	0.000	0.000	-4.797	4.797
CHELPG
AIM
ESP

<r²>	39.430
(<r²>)^1/2	6.279

All results from a given calculation for NH2CN (cyanamide)

using model chemistry: M06-2X/6-311G*

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)