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	hartrees
Energy at 0K	-146.006135
Energy at 298.15K
HF Energy	-146.006135
Nuclear repulsion energy	57.632297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3695	3309	67.43
2	A₁	2379	2130	18.40
3	A₁	1657	1484	39.44
4	A₁	1136	1017	5.81
5	B₁	472	422	0.05
6	B₁	281i	251i	320.18
7	B₂	3878	3472	41.89
8	B₂	1136	1017	4.58
9	B₂	388	347	0.88

Atom	y (Å)	z (Å)
C1	0.000	0.217
N2	0.000	1.429
N3	0.000	-1.137
H4	0.890	-1.671
H5	-0.890	-1.671

	C1	N2	N3	H4	H5
C1		1.2121	1.3538	2.0872	2.0872
N2	1.2121		2.5659	3.2252	3.2252
N3	1.3538	2.5659		1.0381	1.0381
H4	2.0872	3.2252	1.0381		1.7804
H5	2.0872	3.2252	1.0381	1.7804

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.959		C1	N3	H5	120.959
N2	C1	N3	180.000		H4	N3	H5	118.083

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: LSDA/STO-3G

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	0.107
2	N	-0.210
3	N	-0.387
4	H	0.245
5	H	0.245

	x	y	z	Total
	0.000	0.000	-4.133	4.133
CHELPG
AIM
ESP

<r²>	40.293
(<r²>)^1/2	6.348

All results from a given calculation for NH2CN (cyanamide)

using model chemistry: LSDA/STO-3G

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)