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	hartrees
Energy at 0K	-301.968742
Energy at 298.15K	-301.979632
Nuclear repulsion energy	243.827304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4029	3625	60.44
2	A	3898	3507	48.45
3	A	3876	3488	63.69
4	A	3300	2970	54.71
5	A	3295	2965	70.73
6	A	3236	2912	43.79
7	A	3208	2887	24.27
8	A	3198	2878	73.07
9	A	1840	1656	513.57
10	A	1792	1613	345.70
11	A	1689	1520	7.12
12	A	1653	1487	18.64
13	A	1645	1480	9.40
14	A	1616	1454	51.55
15	A	1575	1417	205.96
16	A	1573	1415	203.29
17	A	1515	1363	28.15
18	A	1430	1287	0.01
19	A	1305	1174	19.63
20	A	1294	1164	5.95
21	A	1217	1095	33.38
22	A	1165	1048	13.03
23	A	1071	964	0.92
24	A	969	872	3.58
25	A	916	825	1.33
26	A	867	780	209.17
27	A	621	559	275.09
28	A	613	551	10.67
29	A	596	537	11.13
30	A	576	519	25.49
31	A	479	431	168.02
32	A	389	350	0.09
33	A	280	252	0.03
34	A	215	194	7.59
35	A	128	115	1.41
36	A	78	71	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	2.634	-0.229	0.000
H2	2.733	-0.854	-0.880
H3	3.450	0.482	0.001
H4	2.732	-0.855	0.880
C5	1.292	0.506	-0.000
H6	1.233	1.143	0.878
H7	1.234	1.144	-0.877
N8	0.191	-0.454	-0.001
H9	0.398	-1.427	-0.001
N10	-1.496	1.157	0.000
H11	-2.467	1.362	-0.000
H12	-0.845	1.903	-0.001
C13	-1.144	-0.166	-0.000
O14	-2.004	-1.061	0.000

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0841	1.0831	1.0841	1.5305	2.1483	2.1485	2.4529	2.5365	4.3562	5.3436	4.0802	3.7783	4.7115
H2	1.0841		1.7544	1.7601	2.1683	3.0540	2.4979	2.7184	2.5595	4.7644	5.7205	4.6014	4.0343	4.8219
H3	1.0831	1.7544		1.7544	2.1587	2.4741	2.4741	3.3909	3.6004	4.9920	5.9826	4.5240	4.6397	5.6681
H4	1.0841	1.7601	1.7544		2.1683	2.4976	3.0541	2.7186	2.5591	4.7638	5.7200	4.6015	4.0335	4.8207
C5	1.5305	2.1683	2.1587	2.1683		1.0859	1.0859	1.4608	2.1304	2.8625	3.8551	2.5525	2.5268	3.6492
H6	2.1483	3.0540	2.4741	2.4976	1.0859		1.7547	2.0998	2.8419	2.8665	3.8092	2.3805	2.8519	4.0129
H7	2.1485	2.4979	2.4741	3.0541	1.0859	1.7547		2.0999	2.8425	2.8675	3.8100	2.3802	2.8531	4.0144
N8	2.4529	2.7184	3.3909	2.7186	1.4608	2.0998	2.0999		0.9949	2.3330	3.2198	2.5751	1.3661	2.2773
H9	2.5365	2.5595	3.6004	2.5591	2.1304	2.8419	2.8425	0.9949		3.2042	3.9990	3.5549	1.9924	2.4297
N10	4.3562	4.7644	4.9920	4.7638	2.8625	2.8665	2.8675	2.3330	3.2042		0.9928	0.9902	1.3689	2.2752
H11	5.3436	5.7205	5.9826	5.7200	3.8551	3.8092	3.8100	3.2198	3.9990	0.9928		1.7103	2.0213	2.4668
H12	4.0802	4.6014	4.5240	4.6015	2.5525	2.3805	2.3802	2.5751	3.5549	0.9902	1.7103		2.0904	3.1824
C13	3.7783	4.0343	4.6397	4.0335	2.5268	2.8519	2.8531	1.3661	1.9924	1.3689	2.0213	2.0904		1.2410
O14	4.7115	4.8219	5.6681	4.8207	3.6492	4.0129	4.0144	2.2773	2.4297	2.2752	2.4668	3.1824	1.2410

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.208	C1	C5	H7	109.219
C1	C5	N8	110.144	H2	C1	H3	108.101
H2	C1	H4	108.550	H2	C1	C5	110.900
H3	C1	H4	108.101	H3	C1	C5	110.191
H4	C1	C5	110.903	C5	N8	H9	119.127
C5	N8	C13	126.685	H6	C5	H7	107.793
H6	C5	N8	110.215	H7	C5	N8	110.217
N8	C13	N10	117.088	N8	C13	O14	121.662
H9	N8	C13	114.187	N10	C13	O14	121.250
H11	N10	H12	119.191	H11	N10	C13	116.817
H12	N10	C13	123.993

All results from a given calculation for NH₂CONHC₂H₅ (Urea, ethyl-)

using model chemistry: HF/LANL2DZ

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	-0.579
2	H	0.186
3	H	0.187
4	H	0.186
5	C	-0.145
6	H	0.179
7	H	0.179
8	N	-0.611
9	H	0.390
10	N	-0.831
11	H	0.396
12	H	0.380
13	C	0.585
14	O	-0.503

	x	y	z	Total
	4.246	3.778	-0.002	5.684
CHELPG
AIM
ESP

<r²>	205.148
(<r²>)^1/2	14.323

All results from a given calculation for NH2CONHC2H5 (Urea, ethyl-)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for NH₂CONHC₂H₅ (Urea, ethyl-)