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	hartrees
Energy at 0K	-303.804164
Energy at 298.15K	-303.814328
Nuclear repulsion energy	240.884729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3594	3575	31.34
2	A	3517	3498	25.45
3	A	3469	3451	10.51
4	A	3045	3029	25.88
5	A	3033	3017	32.99
6	A	2968	2952	25.08
7	A	2945	2930	33.07
8	A	2922	2906	47.96
9	A	1693	1684	506.53
10	A	1581	1572	140.35
11	A	1490	1482	2.64
12	A	1471	1464	8.43
13	A	1464	1456	7.73
14	A	1412	1405	5.17
15	A	1384	1376	1.56
16	A	1366	1359	278.41
17	A	1324	1317	50.55
18	A	1263	1256	5.48
19	A	1147	1141	13.94
20	A	1128	1122	2.13
21	A	1079	1074	42.14
22	A	1022	1016	16.29
23	A	952	947	1.70
24	A	862	858	2.05
25	A	803	799	1.13
26	A	723	719	32.67
27	A	573	570	61.25
28	A	533	531	11.06
29	A	514	511	126.89
30	A	475	472	27.58
31	A	375	373	115.05
32	A	349	347	2.25
33	A	260	258	2.03
34	A	190	189	3.35
35	A	105	104	6.05
36	A	52	52	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-2.659	-0.221	-0.015
H2	-2.752	-1.026	0.734
H3	-3.480	0.492	0.157
H4	-2.788	-0.662	-1.016
C5	-1.301	0.493	0.105
H6	-1.259	1.308	-0.641
H7	-1.203	0.957	1.105
N8	-0.196	-0.452	-0.144
H9	-0.392	-1.443	-0.010
N10	1.501	1.185	0.040
H11	2.496	1.352	-0.097
H12	0.887	1.875	-0.390
C13	1.162	-0.174	-0.020
O14	2.018	-1.071	0.059

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.1031	1.1010	1.1019	1.5383	2.1662	2.1817	2.4774	2.5755	4.3914	5.3901	4.1365	3.8215	4.7542
H2	1.1031		1.7797	1.7885	2.1919	3.0933	2.5427	2.7629	2.5093	4.8428	5.8207	4.7876	4.0758	4.8175
H3	1.1010	1.7797		1.7851	2.1792	2.4976	2.5094	3.4305	3.6483	5.0302	6.0428	4.6135	4.6932	5.7169
H4	1.1019	1.7885	1.7851		2.1907	2.5220	3.1034	2.7432	2.7141	4.7878	5.7290	4.5097	4.1035	4.9421
C5	1.5383	2.1919	2.1792	2.1907		1.1063	1.1072	1.4752	2.1418	2.8873	3.8986	2.6357	2.5553	3.6697
H6	2.1662	3.0933	2.4976	2.5220	1.1063		1.7821	2.1153	2.9530	2.8451	3.7940	2.2337	2.9061	4.1096
H7	2.1817	2.5427	2.5094	3.1034	1.1072	1.7821		2.1357	2.7682	2.9154	3.9098	2.7293	2.8531	3.9480
N8	2.4774	2.7629	3.4305	2.7432	1.4752	2.1153	2.1357		1.0195	2.3648	3.2405	2.5786	1.3918	2.3078
H9	2.5755	2.5093	3.6483	2.7141	2.1418	2.9530	2.7682	1.0195		3.2393	4.0199	3.5769	2.0066	2.4395
N10	4.3914	4.8428	5.0302	4.7878	2.8873	2.8451	2.9154	2.3648	3.2393		1.0182	1.0189	1.4019	2.3149
H11	5.3901	5.8207	6.0428	5.7290	3.8986	3.7940	3.9098	3.2405	4.0199	1.0182		1.7169	2.0281	2.4748
H12	4.1365	4.7876	4.6135	4.5097	2.6357	2.2337	2.7293	2.5786	3.5769	1.0189	1.7169		2.1008	3.1880
C13	3.8215	4.0758	4.6932	4.1035	2.5553	2.9061	2.8531	1.3918	2.0066	1.4019	2.0281	2.1008		1.2423
O14	4.7542	4.8175	5.7169	4.9421	3.6697	4.1096	3.9480	2.3078	2.4395	2.3149	2.4748	3.1880	1.2423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.897	C1	C5	H7	110.046
C1	C5	N8	110.571	H2	C1	H3	107.690
H2	C1	H4	108.411	H2	C1	C5	111.091
H3	C1	H4	108.252	H3	C1	C5	110.214
H4	C1	C5	111.070	C5	N8	H9	117.132
C5	N8	C13	126.043	H6	C5	H7	107.244
H6	C5	N8	109.221	H7	C5	N8	110.780
N8	C13	N10	115.653	N8	C13	O14	122.252
H9	N8	C13	111.713	N10	C13	O14	122.083
H11	N10	H12	114.881	H11	N10	C13	112.901
H12	N10	C13	119.575

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.621
2	H	0.157
3	H	0.151
4	H	0.165
5	C	-0.071
6	H	0.126
7	H	0.152
8	N	-0.401
9	H	0.298
10	N	-0.559
11	H	0.311
12	H	0.264
13	C	0.558
14	O	-0.529

	x	y	z	Total
	-3.491	2.833	-0.553	4.530
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>	208.889
(<r²>)^1/2	14.453

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

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

States and conformations

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