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	hartrees
Energy at 0K	-148.378163
Energy at 298.15K
HF Energy	-147.902534
Nuclear repulsion energy	58.825432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3639	3639
2	A₁	2320	2320
3	A₁	1654	1654
4	A₁	1120	1120
5	B₁	480	480
6	B₁	524i	524i
7	B₂	3759	3759
8	B₂	1150	1150
9	B₂	377	377

Atom	y (Å)	z (Å)
C1	0.000	0.220
N2	0.000	1.398
N3	0.000	-1.121
H4	0.870	-1.632
H5	-0.870	-1.632

	C1	N2	N3	H4	H5
C1		1.1782	1.3412	2.0464	2.0464
N2	1.1782		2.5194	3.1529	3.1529
N3	1.3412	2.5194		1.0089	1.0089
H4	2.0464	3.1529	1.0089		1.7399
H5	2.0464	3.1529	1.0089	1.7399

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.434		C1	N3	H5	120.434
N2	C1	N3	180.000		H4	N3	H5	119.133

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: QCISD(TQ)/6-31G*

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)/6-31G*

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)