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	hartrees
Energy at 0K	-148.402638
Energy at 298.15K	-148.405014
Nuclear repulsion energy	59.613136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3699	3699	52.05
2	A'	2470	2470	90.81
3	A'	1698	1698	41.88
4	A'	1120	1120	6.01
5	A'	673	673	211.98
6	A'	519	519	41.58
7	A"	3798	3798	68.29
8	A"	1251	1251	0.07
9	A"	440	440	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.222	0.000
N2	-0.054	1.371	0.000
N3	0.120	-1.117	0.000
H4	-0.231	-1.552	0.832
H5	-0.231	-1.552	-0.832

	C1	N2	N3	H4	H5
C1		1.1499	1.3444	1.9735	1.9735
N2	1.1499		2.4937	3.0444	3.0444
N3	1.3444	2.4937		1.0030	1.0030
H4	1.9735	3.0444	1.0030		1.6649
H5	1.9735	3.0444	1.0030	1.6649

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	113.638		C1	N3	H5	113.638
N2	C1	N3	177.570		H4	N3	H5	112.182

All results from a given calculation for NH₂CN (cyanamide)

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

States and conformations

All results from a given calculation for NH₂CN (cyanamide)