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	hartrees
Energy at 0K	-148.593226
Energy at 298.15K
HF Energy	-147.964876
Nuclear repulsion energy	59.418239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3672	3513
2	A₁	2319	2219
3	A₁	1644	1573
4	A₁	1119	1071
5	B₁	517	495
6	B₁	479i	458i
7	B₂	3790	3627
8	B₂	1140	1091
9	B₂	389	373

Atom	y (Å)	z (Å)
C1	0.000	0.219
N2	0.000	1.384
N3	0.000	-1.111
H4	0.863	-1.614
H5	-0.863	-1.614

	C1	N2	N3	H4	H5
C1		1.1644	1.3303	2.0263	2.0263
N2	1.1644		2.4947	3.1194	3.1194
N3	1.3303	2.4947		0.9991	0.9991
H4	2.0263	3.1194	0.9991		1.7266
H5	2.0263	3.1194	0.9991	1.7266

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.222		C1	N3	H5	120.222
N2	C1	N3	180.000		H4	N3	H5	119.557

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: QCISD(T)=FULL/cc-pVTZ

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: QCISD(T)=FULL/cc-pVTZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)