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	hartrees
Energy at 0K	-148.006856
Energy at 298.15K
HF Energy	-148.006856
Nuclear repulsion energy	59.539401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3533	3499	63.46
2	A₁	2342	2320	118.25
3	A₁	1584	1568	69.33
4	A₁	1146	1135	7.00
5	B₁	538	533	0.72
6	B₁	294i	291i	330.70
7	B₂	3638	3603	89.66
8	B₂	1109	1098	6.52
9	B₂	410	406	0.59

Atom	y (Å)	z (Å)
C1	0.000	0.215
N2	0.000	1.379
N3	0.000	-1.101
H4	0.872	-1.620
H5	-0.872	-1.620

	C1	N2	N3	H4	H5
C1		1.1640	1.3162	2.0316	2.0316
N2	1.1640		2.4802	3.1233	3.1233
N3	1.3162	2.4802		1.0144	1.0144
H4	2.0316	3.1233	1.0144		1.7431
H5	2.0316	3.1233	1.0144	1.7431

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.772		C1	N3	H5	120.772
N2	C1	N3	180.000		H4	N3	H5	118.456

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: SVWN/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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Number	Element	Mulliken
1	C	0.288
2	N	-0.270
3	N	-0.809
4	H	0.396
5	H	0.396

	x	y	z	Total
	0.000	0.000	-4.979	4.979
CHELPG
AIM
ESP

<r²>	39.426
(<r²>)^1/2	6.279

All results from a given calculation for NH2CN (cyanamide)

using model chemistry: SVWN/6-311G*

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)