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	hartrees
Energy at 0K	-148.434241
Energy at 298.15K
HF Energy	-147.929352
Nuclear repulsion energy	58.595795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3624	3488
2	A₁	2265	2181
3	A₁	1623	1562
4	A₁	1092	1051
5	B₁	486	468
6	B₁	505i	486i
7	B₂	3759	3618
8	B₂	1128	1085
9	B₂	373	359

Atom	y (Å)	z (Å)
C1	0.000	0.221
N2	0.000	1.404
N3	0.000	-1.127
H4	0.873	-1.634
H5	-0.873	-1.634

	C1	N2	N3	H4	H5
C1		1.1831	1.3482	2.0503	2.0503
N2	1.1831		2.5313	3.1612	3.1612
N3	1.3482	2.5313		1.0095	1.0095
H4	2.0503	3.1612	1.0095		1.7460
H5	2.0503	3.1612	1.0095	1.7460

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.144		C1	N3	H5	120.144
N2	C1	N3	180.000		H4	N3	H5	119.712

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: CCSD(T)/aug-cc-pVDZ

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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All results from a given calculation for NH2CN (cyanamide)

using model chemistry: CCSD(T)/aug-cc-pVDZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)