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	hartrees
Energy at 0K	-148.441896
Energy at 298.15K
HF Energy	-147.929605
Nuclear repulsion energy	58.642143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3627	3523
2	A₁	2270	2204
3	A₁	1623	1576
4	A₁	1094	1063
5	B₁	488	474
6	B₁	503i	488i
7	B₂	3761	3653
8	B₂	1126	1094
9	B₂	376	365

Atom	y (Å)	z (Å)
C1	0.000	0.221
N2	0.000	1.403
N3	0.000	-1.126
H4	0.872	-1.633
H5	-0.872	-1.633

	C1	N2	N3	H4	H5
C1		1.1823	1.3470	2.0488	2.0488
N2	1.1823		2.5293	3.1590	3.1590
N3	1.3470	2.5293		1.0089	1.0089
H4	2.0488	3.1590	1.0089		1.7446
H5	2.0488	3.1590	1.0089	1.7446

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.160		C1	N3	H5	120.160
N2	C1	N3	180.000		H4	N3	H5	119.680

All results from a given calculation for NH₂CN (cyanamide)

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

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)