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	hartrees
Energy at 0K	-303.170640
Energy at 298.15K	-303.181265
HF Energy	-302.115469
Nuclear repulsion energy	244.549848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3751	3552	25.97
2	A	3657	3463	25.21
3	A	3630	3438	21.87
4	A	3186	3018	19.58
5	A	3177	3009	27.36
6	A	3108	2944	25.95
7	A	3087	2923	16.50
8	A	3066	2904	35.98
9	A	1841	1744	455.88
10	A	1699	1609	154.31
11	A	1571	1488	2.68
12	A	1544	1462	5.58
13	A	1536	1455	9.26
14	A	1501	1422	14.39
15	A	1462	1384	233.90
16	A	1450	1374	55.80
17	A	1391	1318	18.35
18	A	1335	1264	5.07
19	A	1228	1163	20.73
20	A	1193	1130	1.47
21	A	1168	1106	33.39
22	A	1098	1040	15.51
23	A	1012	959	3.04
24	A	920	871	2.21
25	A	839	794	0.63
26	A	802	759	88.17
27	A	643	609	20.37
28	A	623	590	233.54
29	A	568	538	18.67
30	A	511	484	51.99
31	A	426	404	68.14
32	A	370	351	0.13
33	A	288	272	3.15
34	A	205	194	1.83
35	A	115	109	9.53
36	A	59	56	0.56

Atom	x (Å)	y (Å)	z (Å)
C1	-2.603	-0.222	0.036
H2	-2.646	-1.027	0.774
H3	-3.418	0.471	0.249
H4	-2.766	-0.651	-0.955
C5	-1.263	0.492	0.093
H6	-1.272	1.317	-0.629
H7	-1.102	0.929	1.086
N8	-0.196	-0.440	-0.248
H9	-0.398	-1.418	-0.107
N10	1.452	1.174	0.057
H11	2.445	1.334	-0.007
H12	0.897	1.809	-0.492
C13	1.143	-0.177	-0.028
O14	1.976	-1.058	0.102

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0928	1.0914	1.0918	1.5201	2.1411	2.1629	2.4342	2.5123	4.2893	5.2828	4.0813	3.7466	4.6551
H2	1.0928		1.7659	1.7735	2.1645	3.0578	2.5105	2.7190	2.4452	4.7066	5.6654	4.7113	3.9644	4.6700
H3	1.0914	1.7659		1.7705	2.1615	2.4686	2.5045	3.3859	3.5801	4.9250	5.9320	4.5784	4.6153	5.6087
H4	1.0918	1.7735	1.7705		2.1597	2.4926	3.0702	2.6744	2.6294	4.7065	5.6565	4.4368	4.0449	4.8754
C5	1.5201	2.1645	2.1615	2.1597		1.0958	1.0964	1.4572	2.1062	2.7996	3.8033	2.5962	2.4997	3.5904
H6	2.1411	3.0578	2.4686	2.4926	1.0958		1.7659	2.0952	2.9183	2.8130	3.7686	2.2282	2.9023	4.0893
H7	2.1629	2.5105	2.5045	3.0702	1.0964	1.7659		2.1150	2.7247	2.7648	3.7337	2.6948	2.7392	3.7931
N8	2.4342	2.7190	3.3859	2.6744	1.4572	2.0952	2.1150		1.0091	2.3266	3.1900	2.5120	1.3812	2.2847
H9	2.5123	2.4452	3.5801	2.6294	2.1062	2.9183	2.7247	1.0091		3.1892	3.9583	3.4987	1.9801	2.4104
N10	4.2893	4.7066	4.9250	4.7065	2.7996	2.8130	2.7648	2.3266	3.1892		1.0074	1.0068	1.3889	2.2929
H11	5.2828	5.6654	5.9320	5.6565	3.8033	3.7686	3.7337	3.1900	3.9583	1.0074		1.6905	1.9950	2.4399
H12	4.0813	4.7113	4.5784	4.4368	2.5962	2.2282	2.6948	2.5120	3.4987	1.0068	1.6905		2.0544	3.1204
C13	3.7466	3.9644	4.6153	4.0449	2.4997	2.9023	2.7392	1.3812	1.9801	1.3889	1.9950	2.0544		1.2194
O14	4.6551	4.6700	5.6087	4.8754	3.5904	4.0893	3.7931	2.2847	2.4104	2.2929	2.4399	3.1204	1.2194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.790	C1	C5	H7	110.465
C1	C5	N8	109.667	H2	C1	H3	107.892
H2	C1	H4	108.542	H2	C1	C5	110.808
H3	C1	H4	108.376	H3	C1	C5	110.653
H4	C1	C5	110.481	C5	N8	H9	116.108
C5	N8	C13	123.419	H6	C5	H7	107.324
H6	C5	N8	109.491	H7	C5	N8	111.044
N8	C13	N10	114.254	N8	C13	O14	122.802
H9	N8	C13	110.900	N10	C13	O14	122.932
H11	N10	H12	114.133	H11	N10	C13	111.737
H12	N10	C13	117.195

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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