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	hartrees
Energy at 0K	-148.722996
Energy at 298.15K
HF Energy	-148.722996
Nuclear repulsion energy	59.419295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3673	3491	86.08
2	A₁	2428	2308	134.16
3	A₁	1617	1537	64.48
4	A₁	1156	1099	10.52
5	B₁	533	506	1.73
6	B₁	426i	405i	336.45
7	B₂	3802	3613	113.88
8	B₂	1135	1079	5.67
9	B₂	417	397	0.03

Atom	y (Å)	z (Å)
C1	0.000	0.221
N2	0.000	1.382
N3	0.000	-1.110
H4	0.868	-1.616
H5	-0.868	-1.616

	C1	N2	N3	H4	H5
C1		1.1614	1.3308	2.0315	2.0315
N2	1.1614		2.4922	3.1212	3.1212
N3	1.3308	2.4922		1.0048	1.0048
H4	2.0315	3.1212	1.0048		1.7364
H5	2.0315	3.1212	1.0048	1.7364

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.227		C1	N3	H5	120.227
N2	C1	N3	180.000		H4	N3	H5	119.546

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: M06-2X/6-31G**

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	0.506
2	N	-0.446
3	N	-0.723
4	H	0.332
5	H	0.332

	x	y	z	Total
	0.000	0.000	-4.720	4.720
CHELPG
AIM
ESP

<r²>	39.454
(<r²>)^1/2	6.281

All results from a given calculation for NH2CN (cyanamide)

using model chemistry: M06-2X/6-31G**

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)