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	hartrees
Energy at 0K	-302.962554
Energy at 298.15K	-302.973200
HF Energy	-302.046191
Nuclear repulsion energy	244.192145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3735	3506	28.68
2	A	3656	3431	26.98
3	A	3626	3403	26.98
4	A	3198	3002	20.17
5	A	3185	2990	27.76
6	A	3119	2928	30.02
7	A	3107	2916	13.57
8	A	3083	2894	32.03
9	A	1892	1776	502.24
10	A	1695	1590	159.89
11	A	1592	1494	2.16
12	A	1563	1467	3.22
13	A	1554	1459	6.84
14	A	1520	1426	26.58
15	A	1496	1404	257.21
16	A	1477	1386	20.34
17	A	1411	1325	17.41
18	A	1343	1261	6.46
19	A	1242	1166	19.28
20	A	1205	1131	2.76
21	A	1179	1106	35.00
22	A	1112	1044	11.43
23	A	1027	964	3.47
24	A	933	876	1.52
25	A	846	794	0.97
26	A	806	756	112.42
27	A	661	620	35.13
28	A	627	589	227.54
29	A	575	540	20.72
30	A	515	483	53.46
31	A	425	399	73.72
32	A	373	350	0.58
33	A	280	263	2.85
34	A	207	195	1.74
35	A	121	113	9.87
36	A	64	60	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	-2.614	-0.211	0.001
H2	-2.683	-1.070	0.676
H3	-3.425	0.479	0.251
H4	-2.760	-0.563	-1.024
C5	-1.265	0.482	0.140
H6	-1.243	1.353	-0.526
H7	-1.129	0.854	1.164
N8	-0.197	-0.442	-0.237
H9	-0.390	-1.422	-0.075
N10	1.465	1.174	0.040
H11	2.462	1.320	-0.038
H12	0.917	1.807	-0.527
C13	1.142	-0.175	-0.029
O14	1.975	-1.057	0.101

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0950	1.0934	1.0936	1.5230	2.1454	2.1665	2.4402	2.5338	4.3075	5.3026	4.1013	3.7565	4.6673
H2	1.0950		1.7695	1.7762	2.1692	3.0639	2.5206	2.7221	2.4383	4.7581	5.7180	4.7628	3.9911	4.6930
H3	1.0934	1.7695		1.7755	2.1628	2.4752	2.4995	3.3922	3.5959	4.9429	5.9539	4.6065	4.6219	5.6156
H4	1.0936	1.7762	1.7755		2.1641	2.4944	3.0756	2.6847	2.6942	4.6902	5.6389	4.4033	4.0460	4.8920
C5	1.5230	2.1692	2.1628	2.1641		1.0967	1.0982	1.4615	2.1060	2.8176	3.8245	2.6387	2.5005	3.5864
H6	2.1454	3.0639	2.4752	2.4944	1.0967		1.7657	2.0972	2.9377	2.7715	3.7372	2.2071	2.8753	4.0682
H7	2.1665	2.5206	2.4995	3.0756	1.0982	1.7657		2.1237	2.6943	2.8445	3.8154	2.8203	2.7636	3.7960
N8	2.4402	2.7221	3.3922	2.6847	1.4615	2.0972	2.1237		1.0121	2.3337	3.1961	2.5263	1.3807	2.2819
H9	2.5338	2.4383	3.5959	2.6942	2.1060	2.9377	2.6943	1.0121		3.1922	3.9569	3.5129	1.9760	2.3991
N10	4.3075	4.7581	4.9429	4.6902	2.8176	2.7715	2.8445	2.3337	3.1922		1.0115	1.0109	1.3883	2.2889
H11	5.3026	5.7180	5.9539	5.6389	3.8245	3.7372	3.8154	3.1961	3.9569	1.0115		1.6924	1.9947	2.4305
H12	4.1013	4.7628	4.6065	4.4033	2.6387	2.2071	2.8203	2.5263	3.5129	1.0109	1.6924		2.0559	3.1169
C13	3.7565	3.9911	4.6219	4.0460	2.5005	2.8753	2.7636	1.3807	1.9760	1.3883	1.9947	2.0559		1.2198
O14	4.6673	4.6930	5.6156	4.8920	3.5864	4.0682	3.7960	2.2819	2.3991	2.2889	2.4305	3.1169	1.2198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.872	C1	C5	H7	110.444
C1	C5	N8	109.680	H2	C1	H3	107.916
H2	C1	H4	108.494	H2	C1	C5	110.838
H3	C1	H4	108.557	H3	C1	C5	110.429
H4	C1	C5	110.524	C5	N8	H9	115.525
C5	N8	C13	123.209	H6	C5	H7	107.125
H6	C5	N8	109.308	H7	C5	N8	111.343
N8	C13	N10	114.868	N8	C13	O14	122.552
H9	N8	C13	110.386	N10	C13	O14	122.574
H11	N10	H12	113.614	H11	N10	C13	111.479
H12	N10	C13	117.067

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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