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	hartrees
Energy at 0K	-25.917483
Energy at 298.15K	-25.919746
HF Energy	-25.917483
Nuclear repulsion energy	31.583763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3862	3481	74.10
2	A₁	2475	2231	177.97
3	A₁	1788	1612	85.28
4	A₁	1165	1050	10.12
5	B₁	570	514	41.44
6	B₁	439	395	517.96
7	B₂	4016	3620	95.77
8	B₂	1267	1142	5.04
9	B₂	449	405	0.47

Atom	y (Å)	z (Å)
C1	0.000	0.226
N2	0.000	1.391
N3	0.000	-1.122
H4	0.861	-1.622
H5	-0.861	-1.622

	C1	N2	N3	H4	H5
C1		1.1657	1.3472	2.0386	2.0386
N2	1.1657		2.5130	3.1341	3.1341
N3	1.3472	2.5130		0.9961	0.9961
H4	2.0386	3.1341	0.9961		1.7225
H5	2.0386	3.1341	0.9961	1.7225

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.164		C1	N3	H5	120.164
N2	C1	N3	180.000		H4	N3	H5	119.673

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: HF/CEP-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	-0.501
2	N	0.249
3	N	-0.515
4	H	0.384
5	H	0.384

	x	y	z	Total
	0.000	0.000	-5.059	5.059
CHELPG
AIM
ESP

<r²>	33.966
(<r²>)^1/2	5.828

All results from a given calculation for NH2CN (cyanamide)

using model chemistry: HF/CEP-31G

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)