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	hartrees
Energy at 0K	-148.488120
Energy at 298.15K	-148.490420
Nuclear repulsion energy	58.794147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3579	3579
2	A'	2238	2238
3	A'	1647	1647
4	A'	1058	1058
5	A'	689	689
6	A'	476	476
7	A"	3677	3677
8	A"	1211	1211
9	A"	399	399

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.217	0.000
N2	-0.035	1.393	0.000
N3	0.113	-1.134	0.000
H4	-0.275	-1.557	0.834
H5	-0.275	-1.557	-0.834

	C1	N2	N3	H4	H5
C1		1.1756	1.3562	1.9794	1.9794
N2	1.1756		2.5309	3.0742	3.0742
N3	1.3562	2.5309		1.0120	1.0120
H4	1.9794	3.0742	1.0120		1.6673
H5	1.9794	3.0742	1.0120	1.6673

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	112.595		C1	N3	H5	112.595
N2	C1	N3	176.900		H4	N3	H5	110.922

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: MP4/6-31G(2df,p)

States and conformations

	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: MP4/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CN (cyanamide)