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	hartrees
Energy at 0K	-300.966089
Energy at 298.15K	-300.976434
HF Energy	-300.363117
Nuclear repulsion energy	241.423545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3689	3509	22.80
2	A	3591	3416	26.12
3	A	3559	3386	24.32
4	A	3173	3018	23.13
5	A	3167	3013	22.92
6	A	3107	2956	15.61
7	A	3092	2941	11.85
8	A	3046	2897	45.21
9	A	1767	1681	292.26
10	A	1711	1627	116.59
11	A	1634	1555	6.47
12	A	1608	1529	6.15
13	A	1597	1520	6.05
14	A	1502	1429	6.00
15	A	1484	1412	1.96
16	A	1421	1352	53.31
17	A	1395	1327	305.08
18	A	1354	1288	2.15
19	A	1229	1169	5.43
20	A	1211	1152	17.13
21	A	1136	1080	49.99
22	A	1062	1010	19.87
23	A	975	928	1.77
24	A	899	855	2.76
25	A	870	828	2.07
26	A	775	737	85.06
27	A	585	556	135.74
28	A	564	536	70.87
29	A	548	522	30.44
30	A	480	457	21.97
31	A	378	360	100.91
32	A	361	344	81.26
33	A	287	273	2.52
34	A	206	196	3.30
35	A	101	96	6.07
36	A	23	22	2.15

Atom	x (Å)	y (Å)	z (Å)
C1	-2.613	-0.255	0.162
H2	-2.523	-0.905	1.038
H3	-3.439	0.444	0.323
H4	-2.844	-0.869	-0.715
C5	-1.292	0.515	-0.061
H6	-1.411	1.191	-0.920
H7	-1.062	1.126	0.820
N8	-0.187	-0.442	-0.289
H9	-0.413	-1.429	-0.358
N10	1.434	1.191	0.092
H11	2.412	1.411	0.236
H12	0.881	1.872	-0.413
C13	1.156	-0.179	-0.025
O14	2.021	-1.070	0.114

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0942	1.0945	1.0949	1.5451	2.1692	2.1787	2.4746	2.5470	4.2987	5.2951	4.1312	3.7740	4.7053
H2	1.0942		1.7802	1.7825	2.1762	3.0755	2.5109	2.7259	2.5835	4.5766	5.5101	4.6262	3.8968	4.6395
H3	1.0945	1.7802		1.7770	2.1823	2.4932	2.5223	3.4260	3.6235	4.9360	5.9317	4.6097	4.6499	5.6701
H4	1.0949	1.7825	1.7770		2.1797	2.5176	3.0840	2.7244	2.5198	4.8165	5.8081	4.6349	4.1169	4.9390
C5	1.5451	2.1762	2.1823	2.1797		1.0997	1.0964	1.4796	2.1538	2.8133	3.8231	2.5866	2.5444	3.6769
H6	2.1692	3.0755	2.4932	2.5176	1.0997		1.7754	2.1363	2.8592	3.0202	4.0008	2.4448	3.0442	4.2383
H7	2.1787	2.5109	2.5223	3.0840	1.0964	1.7754		2.1107	2.8872	2.6013	3.5347	2.4194	2.7081	3.8505
N8	2.4746	2.7259	3.4260	2.7244	1.4796	2.1363	2.1107		1.0145	2.3326	3.2355	2.5517	1.3935	2.3307
H9	2.5470	2.5835	3.6235	2.5198	2.1538	2.8592	2.8872	1.0145		3.2370	4.0499	3.5457	2.0332	2.5051
N10	4.2987	4.5766	4.9360	4.8165	2.8133	3.0202	2.6013	2.3326	3.2370		1.0129	1.0121	1.4026	2.3361
H11	5.2951	5.5101	5.9317	5.8081	3.8231	4.0008	3.5347	3.2355	4.0499	1.0129		1.7256	2.0435	2.5151
H12	4.1312	4.6262	4.6097	4.6349	2.5866	2.4448	2.4194	2.5517	3.5457	1.0121	1.7256		2.1050	3.1987
C13	3.7740	3.8968	4.6499	4.1169	2.5444	3.0442	2.7081	1.3935	2.0332	1.4026	2.0435	2.1050		1.2501
O14	4.7053	4.6395	5.6701	4.9390	3.6769	4.2383	3.8505	2.3307	2.5051	2.3361	2.5151	3.1987	1.2501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.048	C1	C5	H7	109.978
C1	C5	N8	109.778	H2	C1	H3	108.849
H2	C1	H4	109.030	H2	C1	C5	109.905
H3	C1	H4	108.512	H3	C1	C5	110.368
H4	C1	C5	110.140	C5	N8	H9	118.235
C5	N8	C13	124.616	H6	C5	H7	107.891
H6	C5	N8	110.983	H7	C5	N8	109.139
N8	C13	N10	113.068	N8	C13	O14	123.588
H9	N8	C13	114.286	N10	C13	O14	123.336
H11	N10	H12	116.895	H11	N10	C13	114.596
H12	N10	C13	120.462

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

using model chemistry: MP2/3-21G*

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

using model chemistry: MP2/3-21G*

States and conformations

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