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	hartrees
Energy at 0K	-148.664256
Energy at 298.15K
HF Energy	-148.664256
Nuclear repulsion energy	59.659020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3652	3508	69.53
2	A₁	2393	2299	133.60
3	A₁	1619	1555	57.81
4	A₁	1149	1103	10.77
5	B₁	544	523	0.72
6	B₁	399i	384i	291.47
7	B₂	3770	3620	99.49
8	B₂	1140	1095	3.58
9	B₂	417	401	0.16

Atom	y (Å)	z (Å)
C1	0.000	0.219
N2	0.000	1.377
N3	0.000	-1.104
H4	0.866	-1.612
H5	-0.866	-1.612

	C1	N2	N3	H4	H5
C1		1.1574	1.3231	2.0252	2.0252
N2	1.1574		2.4805	3.1111	3.1111
N3	1.3231	2.4805		1.0036	1.0036
H4	2.0252	3.1111	1.0036		1.7314
H5	2.0252	3.1111	1.0036	1.7314

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.390		C1	N3	H5	120.390
N2	C1	N3	180.000		H4	N3	H5	119.220

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: HSEh1PBE/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	0.276
2	N	-0.316
3	N	-0.491
4	H	0.266
5	H	0.266

	x	y	z	Total
	0.000	0.000	-4.845	4.845
CHELPG
AIM
ESP

<r²>	39.334
(<r²>)^1/2	6.272

All results from a given calculation for NH2CN (cyanamide)

using model chemistry: HSEh1PBE/6-311G**

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)