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	hartrees
Energy at 0K	-148.598240
Energy at 298.15K
HF Energy	-147.963608
Nuclear repulsion energy	59.257418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3664	3528
2	A₁	2253	2170
3	A₁	1640	1579
4	A₁	1106	1065
5	B₁	507	488
6	B₁	485i	467i
7	B₂	3785	3645
8	B₂	1135	1093
9	B₂	388	373

Atom	y (Å)	z (Å)
C1	0.000	0.217
N2	0.000	1.389
N3	0.000	-1.113
H4	0.863	-1.617
H5	-0.863	-1.617

	C1	N2	N3	H4	H5
C1		1.1718	1.3302	2.0272	2.0272
N2	1.1718		2.5020	3.1274	3.1274
N3	1.3302	2.5020		0.9997	0.9997
H4	2.0272	3.1274	0.9997		1.7269
H5	2.0272	3.1274	0.9997	1.7269

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.270		C1	N3	H5	120.270
N2	C1	N3	180.000		H4	N3	H5	119.461

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: MP4=FULL/cc-pVTZ

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: MP4=FULL/cc-pVTZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)