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	hartrees
Energy at 0K	-148.519689
Energy at 298.15K
HF Energy	-147.959457
Nuclear repulsion energy	59.235696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3654	3493
2	A₁	2315	2213
3	A₁	1634	1563
4	A₁	1110	1061
5	B₁	491	470
6	B₁	539i	515i
7	B₂	3779	3613
8	B₂	1136	1086
9	B₂	393	376

Atom	y (Å)	z (Å)
C1	0.000	0.221
N2	0.000	1.388
N3	0.000	-1.114
H4	0.867	-1.619
H5	-0.867	-1.619

	C1	N2	N3	H4	H5
C1		1.1668	1.3353	2.0337	2.0337
N2	1.1668		2.5021	3.1290	3.1290
N3	1.3353	2.5021		1.0032	1.0032
H4	2.0337	3.1290	1.0032		1.7344
H5	2.0337	3.1290	1.0032	1.7344

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.181		C1	N3	H5	120.181
N2	C1	N3	180.000		H4	N3	H5	119.638

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: CCSD(T)=FULL/TZVP

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)=FULL/TZVP

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)