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	hartrees
Energy at 0K	-303.081256
Energy at 298.15K	-303.091876
HF Energy	-302.076038
Nuclear repulsion energy	244.547751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3814	3554	38.00
2	A	3730	3475	33.42
3	A	3695	3442	30.19
4	A	3229	3008	22.73
5	A	3219	2999	29.47
6	A	3151	2935	24.68
7	A	3133	2919	17.53
8	A	3112	2899	38.21
9	A	1849	1722	641.80
10	A	1693	1577	163.51
11	A	1589	1480	3.54
12	A	1558	1452	3.28
13	A	1548	1442	6.82
14	A	1522	1418	30.95
15	A	1486	1385	255.15
16	A	1475	1374	37.08
17	A	1412	1315	23.60
18	A	1342	1250	5.47
19	A	1240	1155	18.74
20	A	1205	1122	2.00
21	A	1171	1090	33.41
22	A	1109	1033	13.54
23	A	1026	956	4.84
24	A	929	865	1.83
25	A	847	789	0.82
26	A	792	738	65.09
27	A	629	586	40.19
28	A	601	560	176.50
29	A	570	531	40.46
30	A	516	480	60.46
31	A	423	395	78.60
32	A	373	347	0.24
33	A	275	256	2.45
34	A	206	192	2.38
35	A	117	109	9.27
36	A	64	60	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-2.612	-0.222	0.005
H2	-2.679	-1.023	0.739
H3	-3.422	0.478	0.195
H4	-2.750	-0.647	-0.988
C5	-1.271	0.488	0.102
H6	-1.250	1.303	-0.625
H7	-1.152	0.931	1.093
N8	-0.194	-0.450	-0.183
H9	-0.394	-1.428	-0.053
N10	1.457	1.173	0.041
H11	2.442	1.354	-0.048
H12	0.860	1.835	-0.421
C13	1.146	-0.175	-0.026
O14	1.991	-1.052	0.077

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0890	1.0873	1.0882	1.5207	2.1394	2.1556	2.4359	2.5257	4.3021	5.2944	4.0579	3.7582	4.6780
H2	1.0890		1.7612	1.7686	2.1617	3.0517	2.5050	2.7113	2.4521	4.7348	5.7003	4.6944	3.9912	4.7166
H3	1.0873	1.7612		1.7656	2.1532	2.4643	2.4830	3.3798	3.5868	4.9311	5.9341	4.5338	4.6195	5.6264
H4	1.0882	1.7686	1.7656		2.1592	2.4864	3.0616	2.6867	2.6523	4.6979	5.6427	4.4170	4.0401	4.8758
C5	1.5207	2.1617	2.1532	2.1592		1.0917	1.0925	1.4561	2.1128	2.8136	3.8155	2.5744	2.5092	3.6073
H6	2.1394	3.0517	2.4643	2.4864	1.0917		1.7612	2.0931	2.9179	2.7908	3.7368	2.1851	2.8777	4.0667
H7	2.1556	2.5050	2.4830	3.0616	1.0925	1.7612		2.1097	2.7295	2.8238	3.7945	2.6755	2.7844	3.8522
N8	2.4359	2.7113	3.3798	2.6867	1.4561	2.0931	2.1097		1.0063	2.3262	3.1971	2.5276	1.3767	2.2814
H9	2.5257	2.4521	3.5868	2.6523	2.1128	2.9179	2.7295	1.0063		3.1934	3.9721	3.5146	1.9846	2.4176
N10	4.3021	4.7348	4.9311	4.6979	2.8136	2.7908	2.8238	2.3262	3.1934		1.0051	1.0047	1.3853	2.2880
H11	5.2944	5.7003	5.9341	5.6427	3.8155	3.7368	3.7945	3.1971	3.9721	1.0051		1.6953	2.0048	2.4508
H12	4.0579	4.6944	4.5338	4.4170	2.5744	2.1851	2.6755	2.5276	3.5146	1.0047	1.6953		2.0688	3.1404
C13	3.7582	3.9912	4.6195	4.0401	2.5092	2.8777	2.7844	1.3767	1.9846	1.3853	2.0048	2.0688		1.2221
O14	4.6780	4.7166	5.6264	4.8758	3.6073	4.0667	3.8522	2.2814	2.4176	2.2880	2.4508	3.1404	1.2221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.845	C1	C5	H7	110.072
C1	C5	N8	109.812	H2	C1	H3	108.043
H2	C1	H4	108.649	H2	C1	C5	110.766
H3	C1	H4	108.496	H3	C1	C5	110.192
H4	C1	C5	110.617	C5	N8	H9	117.022
C5	N8	C13	124.674	H6	C5	H7	107.473
H6	C5	N8	109.646	H7	C5	N8	110.938
N8	C13	N10	114.747	N8	C13	O14	122.668
H9	N8	C13	111.840	N10	C13	O14	122.566
H11	N10	H12	115.033	H11	N10	C13	113.043
H12	N10	C13	119.046

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

using model chemistry: MP3=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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