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	hartrees
Energy at 0K	-303.867579
Energy at 298.15K	-303.877876
Nuclear repulsion energy	241.450357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3570	3556	19.85
2	A	3498	3484	15.57
3	A	3457	3443	6.78
4	A	3031	3019	29.62
5	A	3018	3006	38.57
6	A	2959	2948	25.11
7	A	2933	2921	35.59
8	A	2909	2897	47.94
9	A	1719	1712	403.70
10	A	1582	1576	121.78
11	A	1490	1484	1.78
12	A	1471	1465	6.54
13	A	1461	1456	6.80
14	A	1418	1412	3.38
15	A	1382	1376	1.17
16	A	1359	1354	231.50
17	A	1327	1322	61.92
18	A	1266	1261	9.95
19	A	1149	1145	10.50
20	A	1125	1121	1.95
21	A	1084	1079	56.88
22	A	1021	1017	15.21
23	A	948	945	1.51
24	A	864	860	1.76
25	A	805	802	1.19
26	A	742	739	47.97
27	A	588	586	64.31
28	A	553	551	52.30
29	A	528	526	84.87
30	A	487	485	39.42
31	A	384	382	87.75
32	A	348	346	1.10
33	A	268	267	2.17
34	A	191	190	2.36
35	A	112	111	6.86
36	A	63	63	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-2.654	-0.213	-0.029
H2	-2.752	-1.062	0.665
H3	-3.474	0.487	0.181
H4	-2.774	-0.590	-1.055
C5	-1.294	0.482	0.142
H6	-1.245	1.342	-0.546
H7	-1.199	0.884	1.167
N8	-0.196	-0.452	-0.169
H9	-0.387	-1.438	-0.005
N10	1.492	1.186	0.032
H11	2.488	1.347	-0.099
H12	0.895	1.851	-0.454
C13	1.164	-0.176	-0.024
O14	2.010	-1.065	0.071

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.1006	1.0986	1.0991	1.5365	2.1611	2.1797	2.4730	2.5770	4.3764	5.3733	4.1270	3.8182	4.7420
H2	1.1006		1.7760	1.7828	2.1863	3.0847	2.5396	2.7563	2.4868	4.8444	5.8169	4.7991	4.0735	4.7986
H3	1.0986	1.7760		1.7825	2.1799	2.4953	2.5105	3.4271	3.6429	5.0173	6.0296	4.6202	4.6897	5.7003
H4	1.0991	1.7828	1.7825		2.1845	2.5158	3.0969	2.7291	2.7421	4.7474	5.6877	4.4473	4.0919	4.9376
C5	1.5365	2.1863	2.1799	2.1845		1.1033	1.1052	1.4743	2.1287	2.8764	3.8870	2.6498	2.5504	3.6491
H6	2.1611	3.0847	2.4953	2.5158	1.1033		1.7746	2.1121	2.9597	2.8024	3.7597	2.2015	2.8957	4.0957
H7	2.1797	2.5396	2.5105	3.0969	1.1052	1.7746		2.1393	2.7256	2.9373	3.9260	2.8194	2.8516	3.9118
N8	2.4730	2.7563	3.4271	2.7291	1.4743	2.1121	2.1393		1.0178	2.3612	3.2316	2.5640	1.3957	2.3026
H9	2.5770	2.4868	3.6429	2.7421	2.1287	2.9597	2.7256	1.0178		3.2280	4.0032	3.5583	1.9995	2.4267
N10	4.3764	4.8444	5.0173	4.7474	2.8764	2.8024	2.9373	2.3612	3.2280		1.0166	1.0173	1.4028	2.3107
H11	5.3733	5.8169	6.0296	5.6877	3.8870	3.7597	3.9260	3.2316	4.0032	1.0166		1.7083	2.0191	2.4647
H12	4.1270	4.7991	4.6202	4.4473	2.6498	2.2015	2.8194	2.5640	3.5583	1.0173	1.7083		2.0899	3.1662
C13	3.8182	4.0735	4.6897	4.0919	2.5504	2.8957	2.8516	1.3957	1.9995	1.4028	2.0191	2.0899		1.2307
O14	4.7420	4.7986	5.7003	4.9376	3.6491	4.0957	3.9118	2.3026	2.4267	2.3107	2.4647	3.1662	1.2307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.788	C1	C5	H7	110.129
C1	C5	N8	110.424	H2	C1	H3	107.719
H2	C1	H4	108.285	H2	C1	C5	110.921
H3	C1	H4	108.404	H3	C1	C5	110.537
H4	C1	C5	110.867	C5	N8	H9	116.128
C5	N8	C13	125.383	H6	C5	H7	106.939
H6	C5	N8	109.201	H7	C5	N8	111.262
N8	C13	N10	115.074	N8	C13	O14	122.373
H9	N8	C13	110.907	N10	C13	O14	122.541
H11	N10	H12	114.260	H11	N10	C13	112.150
H12	N10	C13	118.573

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.317
2	H	0.111
3	H	0.112
4	H	0.116
5	C	-0.074
6	H	0.097
7	H	0.115
8	N	-0.381
9	H	0.213
10	N	-0.425
11	H	0.214
12	H	0.200
13	C	0.376
14	O	-0.356

	x	y	z	Total
	-2.941	2.549	-0.543	3.929
CHELPG
AIM
ESP

	x	y	z
x	10.308	-0.029	0.076
y	-0.029	8.297	-0.100
z	0.076	-0.100	5.681

<r²>	207.212
(<r²>)^1/2	14.395

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

using model chemistry: BLYP/6-311G**

States and conformations

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