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	hartrees
Energy at 0K	-148.765513
Energy at 298.15K
HF Energy	-148.765513
Nuclear repulsion energy	59.649472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3663	3663	83.31
2	A₁	2423	2423	141.67
3	A₁	1614	1614	62.41
4	A₁	1148	1148	11.89
5	B₁	547	547	1.31
6	B₁	423i	423i	303.62
7	B₂	3785	3785	113.32
8	B₂	1139	1139	4.11
9	B₂	423	423	0.05

Atom	y (Å)	z (Å)
C1	0.000	0.223
N2	0.000	1.376
N3	0.000	-1.106
H4	0.867	-1.612
H5	-0.867	-1.612

	C1	N2	N3	H4	H5
C1		1.1531	1.3284	2.0290	2.0290
N2	1.1531		2.4815	3.1106	3.1106
N3	1.3284	2.4815		1.0041	1.0041
H4	2.0290	3.1106	1.0041		1.7349
H5	2.0290	3.1106	1.0041	1.7349

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.244		C1	N3	H5	120.244
N2	C1	N3	180.000		H4	N3	H5	119.512

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	0.311
2	N	-0.331
3	N	-0.549
4	H	0.284
5	H	0.284

	x	y	z	Total
	0.000	0.000	-4.762	4.762
CHELPG
AIM
ESP

<r²>	39.418
(<r²>)^1/2	6.278

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)