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	hartrees
Energy at 0K	-148.547746
Energy at 298.15K
HF Energy	-147.964345
Nuclear repulsion energy	59.269254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3657	3657
2	A₁	2312	2312
3	A₁	1625	1625
4	A₁	1110	1110
5	B₁	505	505
6	B₁	506i	506i
7	B₂	3783	3783
8	B₂	1137	1137
9	B₂	385	385

Atom	y (Å)	z (Å)
C1	0.000	0.221
N2	0.000	1.387
N3	0.000	-1.114
H4	0.866	-1.616
H5	-0.866	-1.616

	C1	N2	N3	H4	H5
C1		1.1665	1.3351	2.0308	2.0308
N2	1.1665		2.5017	3.1258	3.1258
N3	1.3351	2.5017		1.0007	1.0007
H4	2.0308	3.1258	1.0007		1.7316
H5	2.0308	3.1258	1.0007	1.7316

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.098		C1	N3	H5	120.098
N2	C1	N3	180.000		H4	N3	H5	119.803

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: QCISD(TQ)/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(TQ)/cc-pVTZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)