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	hartrees
Energy at 0K	-148.366011
Energy at 298.15K
HF Energy	-147.942523
Nuclear repulsion energy	59.685042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3764	3482	72.33
2	A₁	2448	2265	130.01
3	A₁	1723	1594	62.24
4	A₁	1157	1070	12.90
5	B₁	555	513	1.28
6	B₁	510i	472i	359.70
7	B₂	3885	3595	86.68
8	B₂	1200	1110	4.07
9	B₂	429	397	0.02

Atom	y (Å)	z (Å)
C1	0.000	0.223
N2	0.000	1.376
N3	0.000	-1.107
H4	0.860	-1.611
H5	-0.860	-1.611

	C1	N2	N3	H4	H5
C1		1.1531	1.3300	2.0254	2.0254
N2	1.1531		2.4831	3.1081	3.1081
N3	1.3300	2.4831		0.9969	0.9969
H4	2.0254	3.1081	0.9969		1.7209
H5	2.0254	3.1081	0.9969	1.7209

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.336		C1	N3	H5	120.336
N2	C1	N3	180.000		H4	N3	H5	119.328

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)