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	hartrees
Energy at 0K	-225.129854
Energy at 298.15K
HF Energy	-224.096846
Nuclear repulsion energy	124.405246

Atom	y (Å)	z (Å)
C1	0.000	0.141
O2	0.000	1.357
N3	1.152	-0.595
N4	-1.152	-0.595
H5	2.014	-0.089
H6	1.168	-1.593
H7	-2.014	-0.089
H8	-1.168	-1.593

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2156	1.3676	1.3676	2.0267	2.0911	2.0267	2.0911
O2	1.2156		2.2667	2.2667	2.4789	3.1729	2.4789	3.1729
N3	1.3676	2.2667		2.3048	0.9989	0.9983	3.2062	2.5260
N4	1.3676	2.2667	2.3048		3.2062	2.5260	0.9989	0.9983
H5	2.0267	2.4789	0.9989	3.2062		1.7257	4.0272	3.5193
H6	2.0911	3.1729	0.9983	2.5260	1.7257		3.5193	2.3360
H7	2.0267	2.4789	3.2062	0.9989	4.0272	3.5193		1.7257
H8	2.0911	3.1729	2.5260	0.9983	3.5193	2.3360	1.7257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.980	C1	N3	H6	123.474
C1	N4	H7	116.980	C1	N4	H8	123.474
O2	C1	N3	122.578	O2	C1	N4	122.578
N3	C1	N4	114.843	H5	N3	H6	119.547
H7	N4	H8	119.547

All results from a given calculation for NH₂CONH₂ (Urea)

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

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (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 NH2CONH2 (Urea)

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

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

All results from a given calculation for NH₂CONH₂ (Urea)