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	hartrees
Energy at 0K	-303.781374
Energy at 298.15K	-303.791678
Nuclear repulsion energy	241.165988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3578	3550	17.76
2	A	3503	3476	14.81
3	A	3454	3428	6.24
4	A	3055	3031	26.25
5	A	3040	3017	34.36
6	A	2975	2952	22.65
7	A	2948	2925	38.65
8	A	2922	2899	45.86
9	A	1740	1727	357.10
10	A	1584	1571	118.39
11	A	1501	1490	2.30
12	A	1480	1469	5.54
13	A	1473	1461	5.10
14	A	1413	1402	7.39
15	A	1392	1381	0.82
16	A	1372	1361	232.13
17	A	1327	1317	47.63
18	A	1266	1257	9.57
19	A	1155	1146	13.09
20	A	1129	1121	2.18
21	A	1089	1081	48.28
22	A	1026	1018	13.58
23	A	953	945	1.41
24	A	868	861	1.13
25	A	803	797	1.25
26	A	735	729	63.35
27	A	598	593	55.14
28	A	571	566	126.71
29	A	532	528	37.92
30	A	487	483	42.32
31	A	393	390	73.33
32	A	348	346	0.70
33	A	268	266	2.20
34	A	190	189	2.11
35	A	117	116	7.28
36	A	64	63	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	-2.655	-0.213	-0.023
H2	-2.749	-1.069	0.666
H3	-3.472	0.489	0.202
H4	-2.787	-0.582	-1.052
C5	-1.292	0.480	0.143
H6	-1.249	1.348	-0.540
H7	-1.188	0.877	1.171
N8	-0.198	-0.451	-0.188
H9	-0.383	-1.437	-0.011
N10	1.490	1.190	0.037
H11	2.489	1.339	-0.096
H12	0.906	1.846	-0.481
C13	1.163	-0.174	-0.025
O14	2.011	-1.068	0.078

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.1027	1.1004	1.1011	1.5371	2.1636	2.1824	2.4740	2.5806	4.3762	5.3731	4.1379	3.8173	4.7446
H2	1.1027		1.7788	1.7854	2.1894	3.0900	2.5452	2.7606	2.4880	4.8445	5.8150	4.8131	4.0715	4.7962
H3	1.1004	1.7788		1.7855	2.1808	2.4969	2.5111	3.4289	3.6466	5.0145	6.0290	4.6340	4.6875	5.7014
H4	1.1011	1.7854	1.7855		2.1878	2.5203	3.1023	2.7322	2.7555	4.7558	5.6952	4.4556	4.1008	4.9531
C5	1.5371	2.1894	2.1808	2.1878		1.1060	1.1077	1.4740	2.1272	2.8737	3.8850	2.6619	2.5459	3.6485
H6	2.1636	3.0900	2.4969	2.5203	1.1060		1.7764	2.1129	2.9648	2.8036	3.7640	2.2118	2.8979	4.1046
H7	2.1824	2.5452	2.5111	3.1023	1.1077	1.7764		2.1433	2.7208	2.9257	3.9171	2.8377	2.8397	3.9008
N8	2.4740	2.7606	3.4289	2.7322	1.4740	2.1129	2.1433		1.0198	2.3648	3.2295	2.5644	1.3976	2.3090
H9	2.5806	2.4880	3.6466	2.7555	2.1272	2.9648	2.7208	1.0198		3.2275	3.9957	3.5584	1.9962	2.4243
N10	4.3762	4.8445	5.0145	4.7558	2.8737	2.8036	2.9257	2.3648	3.2275		1.0186	1.0197	1.4048	2.3179
H11	5.3731	5.8150	6.0290	5.6952	3.8850	3.7640	3.9171	3.2295	3.9957	1.0186		1.7065	2.0136	2.4600
H12	4.1379	4.8131	4.6340	4.4556	2.6619	2.2118	2.8377	2.5644	3.5584	1.0197	1.7065		2.0869	3.1663
C13	3.8173	4.0715	4.6875	4.1008	2.5459	2.8979	2.8397	1.3976	1.9962	1.4048	2.0136	2.0869		1.2367
O14	4.7446	4.7962	5.7014	4.9531	3.6485	4.1046	3.9008	2.3090	2.4243	2.3179	2.4600	3.1663	1.2367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.792	C1	C5	H7	110.158
C1	C5	N8	110.475	H2	C1	H3	107.681
H2	C1	H4	108.223	H2	C1	C5	111.001
H3	C1	H4	108.394	H3	C1	C5	110.460
H4	C1	C5	110.969	C5	N8	H9	115.874
C5	N8	C13	124.865	H6	C5	H7	106.734
H6	C5	N8	109.125	H7	C5	N8	111.446
N8	C13	N10	115.099	N8	C13	O14	122.333
H9	N8	C13	110.356	N10	C13	O14	122.560
H11	N10	H12	113.693	H11	N10	C13	111.391
H12	N10	C13	117.931

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.312
2	H	0.104
3	H	0.104
4	H	0.112
5	C	-0.011
6	H	0.087
7	H	0.102
8	N	-0.476
9	H	0.246
10	N	-0.567
11	H	0.257
12	H	0.238
13	C	0.609
14	O	-0.492

	x	y	z	Total
	-2.881	2.428	-0.606	3.816
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	206.882
(<r²>)^1/2	14.383

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

using model chemistry: BLYP/6-31G**

States and conformations

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