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	hartrees
Energy at 0K	-224.082072
Energy at 298.15K	-224.088407
HF Energy	-224.082072
Nuclear repulsion energy	125.483260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3930	3571	66.56
2	A	3816	3467	7.12
3	A	1946	1768	600.90
4	A	1773	1611	0.27
5	A	1280	1163	6.48
6	A	1024	931	11.78
7	A	565	513	46.02
8	A	515	468	2.32
9	A	390	354	85.37
10	B	3929	3570	32.18
11	B	3811	3463	73.52
12	B	1777	1615	214.06
13	B	1522	1383	246.37
14	B	1137	1033	26.05
15	B	873	794	76.50
16	B	630	572	45.75
17	B	568	516	157.55
18	B	464	421	228.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.143
O2	0.000	0.000	1.335
N3	0.000	1.151	-0.597
N4	0.000	-1.151	-0.597
H5	0.194	1.972	-0.075
H6	0.379	1.127	-1.514
H7	-0.194	-1.972	-0.075
H8	-0.379	-1.127	-1.514

	C1	O2	N3	N4	H5	H6	H7	H8
C1		1.1917	1.3684	1.3684	1.9936	2.0395	1.9936	2.0395
O2	1.1917		2.2489	2.2489	2.4320	3.0869	2.4320	3.0869
N3	1.3684	2.2489		2.3015	0.9925	0.9920	3.1721	2.4846
N4	1.3684	2.2489	2.3015		3.1721	2.4846	0.9925	0.9920
H5	1.9936	2.4320	0.9925	3.1721		1.6785	3.9632	3.4648
H6	2.0395	3.0869	0.9920	2.4846	1.6785		3.4648	2.3790
H7	1.9936	2.4320	3.1721	0.9925	3.9632	3.4648		1.6785
H8	2.0395	3.0869	2.4846	0.9920	3.4648	2.3790	1.6785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.276	C1	N3	H6	118.689
C1	N4	H7	114.276	C1	N4	H8	118.689
O2	C1	N3	122.760	O2	C1	N4	122.760
N3	C1	N4	114.480	H5	N3	H6	115.525
H7	N4	H8	115.525

All results from a given calculation for NH₂CONH₂ (Urea)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

	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	1.884
2	O	-0.926
3	N	-0.837
4	N	-0.837
5	H	0.177
6	H	0.181
7	H	0.177
8	H	0.181

	x	y	z	Total
	0.000	0.000	-4.062	4.062
CHELPG
AIM
ESP

	x	y	z
x	3.502	0.057	0.000
y	0.057	4.967	0.000
z	0.000	0.000	5.199

<r²>	67.445
(<r²>)^1/2	8.212

All results from a given calculation for NH2CONH2 (Urea)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for NH₂CONH₂ (Urea)