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	hartrees
Energy at 0K	-148.408389
Energy at 298.15K
HF Energy	-147.918525
Nuclear repulsion energy	58.670427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3652	3502
2	A₁	2291	2197
3	A₁	1600	1534
4	A₁	1108	1062
5	B₁	489	469
6	B₁	576i	553i
7	B₂	3789	3634
8	B₂	1121	1075
9	B₂	376	360

Atom	y (Å)	z (Å)
C1	0.000	0.220
N2	0.000	1.402
N3	0.000	-1.125
H4	0.874	-1.631
H5	-0.874	-1.631

	C1	N2	N3	H4	H5
C1		1.1825	1.3445	2.0469	2.0469
N2	1.1825		2.5270	3.1568	3.1568
N3	1.3445	2.5270		1.0104	1.0104
H4	2.0469	3.1568	1.0104		1.7488
H5	2.0469	3.1568	1.0104	1.7488

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.070		C1	N3	H5	120.070
N2	C1	N3	180.000		H4	N3	H5	119.860

All results from a given calculation for NH₂CN (cyanamide)

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

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)