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	hartrees
Energy at 0K	-225.006331
Energy at 298.15K
HF Energy	-224.096409
Nuclear repulsion energy	124.183075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3788	3673
2	A₁	3652	3542
3	A₁	1795	1741
4	A₁	1628	1579
5	A₁	1149	1114
6	A₁	975	946
7	A₁	476	462
8	A₂	355	344
9	A₂	447i	433i
10	B₁	774	751
11	B₁	564	547
12	B₁	355i	344i
13	B₂	3786	3671
14	B₂	3645	3534
15	B₂	1627	1578
16	B₂	1434	1391
17	B₂	993	963
18	B₂	563	546

Atom	y (Å)	z (Å)
C1	0.000	0.142
O2	0.000	1.359
N3	1.154	-0.596
N4	-1.154	-0.596
H5	2.017	-0.089
H6	1.169	-1.596
H7	-2.017	-0.089
H8	-1.169	-1.596

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.2171	1.3704	1.3704	2.0305	2.0949	2.0305	2.0949
O2	1.2171		2.2708	2.2708	2.4833	3.1782	2.4833	3.1782
N3	1.3704	2.2708		2.3090	1.0008	1.0001	3.2120	2.5296
N4	1.3704	2.2708	2.3090		3.2120	2.5296	1.0008	1.0001
H5	2.0305	2.4833	1.0008	3.2120		1.7294	4.0345	3.5248
H6	2.0949	3.1782	1.0001	2.5296	1.7294		3.5248	2.3382
H7	2.0305	2.4833	3.2120	1.0008	4.0345	3.5248		1.7294
H8	2.0949	3.1782	2.5296	1.0001	3.5248	2.3382	1.7294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.952	C1	N3	H6	123.438
C1	N4	H7	116.952	C1	N4	H8	123.438
O2	C1	N3	122.600	O2	C1	N4	122.600
N3	C1	N4	114.799	H5	N3	H6	119.610
H7	N4	H8	119.610

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVQZ

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C2V)

All results from a given calculation for NH₂CONH₂ (Urea)