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	hartrees
Energy at 0K	-303.121873
Energy at 298.15K	-303.132501
HF Energy	-302.131753
Nuclear repulsion energy	244.258350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3735	3549	28.73
2	A	3641	3459	25.00
3	A	3615	3435	22.40
4	A	3182	3024	19.58
5	A	3170	3012	27.67
6	A	3104	2949	27.03
7	A	3080	2927	15.50
8	A	3058	2906	36.24
9	A	1835	1744	435.92
10	A	1638	1557	148.17
11	A	1548	1470	2.60
12	A	1525	1449	3.90
13	A	1515	1440	7.01
14	A	1480	1406	23.30
15	A	1443	1371	178.26
16	A	1431	1360	74.22
17	A	1376	1308	28.72
18	A	1322	1256	7.33
19	A	1219	1158	19.53
20	A	1179	1120	2.13
21	A	1149	1092	31.51
22	A	1089	1035	17.53
23	A	1005	955	4.13
24	A	913	868	1.84
25	A	834	792	1.07
26	A	791	752	74.04
27	A	649	616	31.32
28	A	611	580	206.85
29	A	564	536	23.16
30	A	511	485	49.70
31	A	424	402	54.21
32	A	366	348	0.24
33	A	286	272	2.63
34	A	203	193	1.51
35	A	117	111	9.04
36	A	67	64	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	-2.611	-0.213	-0.005
H2	-2.677	-1.075	0.666
H3	-3.424	0.473	0.242
H4	-2.744	-0.562	-1.032
C5	-1.262	0.478	0.146
H6	-1.237	1.352	-0.514
H7	-1.130	0.839	1.174
N8	-0.198	-0.445	-0.235
H9	-0.391	-1.420	-0.049
N10	1.450	1.180	0.040
H11	2.441	1.342	-0.064
H12	0.879	1.797	-0.519
C13	1.147	-0.176	-0.030
O14	1.984	-1.052	0.099

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0944	1.0926	1.0930	1.5228	2.1445	2.1655	2.4350	2.5267	4.2936	5.2864	4.0598	3.7575	4.6715
H2	1.0944		1.7705	1.7753	2.1645	3.0597	2.5132	2.7125	2.4201	4.7450	5.7074	4.7221	3.9891	4.6953
H3	1.0926	1.7705		1.7768	2.1644	2.4761	2.5030	3.3884	3.5872	4.9297	5.9376	4.5662	4.6247	5.6208
H4	1.0930	1.7753	1.7768		2.1601	2.4914	3.0719	2.6711	2.6907	4.6668	5.6086	4.3540	4.0366	4.8863
C5	1.5228	2.1645	2.1644	2.1601		1.0960	1.0980	1.4592	2.0970	2.8037	3.8087	2.6010	2.5020	3.5886
H6	2.1445	3.0597	2.4761	2.4914	1.0960		1.7675	2.0948	2.9355	2.7488	3.7056	2.1619	2.8727	4.0658
H7	2.1655	2.5132	2.5030	3.0719	1.0980	1.7675		2.1225	2.6734	2.8393	3.8133	2.7962	2.7684	3.7988
N8	2.4350	2.7125	3.3884	2.6711	1.4592	2.0948	2.1225		1.0111	2.3307	3.1917	2.5029	1.3862	2.2890
H9	2.5267	2.4201	3.5872	2.6907	2.0970	2.9355	2.6734	1.0111		3.1873	3.9561	3.4900	1.9776	2.4076
N10	4.2936	4.7450	4.9297	4.6668	2.8037	2.7488	2.8393	2.3307	3.1873		1.0096	1.0089	1.3920	2.2963
H11	5.2864	5.7074	5.9376	5.6086	3.8087	3.7056	3.8133	3.1917	3.9561	1.0096		1.6896	1.9958	2.4431
H12	4.0598	4.7221	4.5662	4.3540	2.6010	2.1619	2.7962	2.5029	3.4900	1.0089	1.6896		2.0504	3.1176
C13	3.7575	3.9891	4.6247	4.0366	2.5020	2.8727	2.7684	1.3862	1.9776	1.3920	1.9958	2.0504		1.2185
O14	4.6715	4.6953	5.6208	4.8863	3.5886	4.0658	3.7988	2.2890	2.4076	2.2963	2.4431	3.1176	1.2185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.853	C1	C5	H7	110.386
C1	C5	N8	109.466	H2	C1	H3	108.105
H2	C1	H4	108.514	H2	C1	C5	110.520
H3	C1	H4	108.768	H3	C1	C5	110.616
H4	C1	C5	110.251	C5	N8	H9	114.971
C5	N8	C13	123.103	H6	C5	H7	107.345
H6	C5	N8	109.312	H7	C5	N8	111.419
N8	C13	N10	114.060	N8	C13	O14	122.865
H9	N8	C13	110.181	N10	C13	O14	123.066
H11	N10	H12	113.659	H11	N10	C13	111.416
H12	N10	C13	116.396

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

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

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: MP2/6-311G**

States and conformations

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