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	hartrees
Energy at 0K	-303.147826
Energy at 298.15K	-303.158468
HF Energy	-302.155717
Nuclear repulsion energy	244.551600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3734	3540	34.06
2	A	3635	3446	27.35
3	A	3611	3423	25.86
4	A	3191	3025	18.84
5	A	3179	3014	26.29
6	A	3117	2955	23.44
7	A	3090	2929	15.74
8	A	3070	2910	35.75
9	A	1803	1709	492.70
10	A	1640	1555	143.05
11	A	1548	1468	2.99
12	A	1529	1449	4.34
13	A	1517	1438	6.45
14	A	1487	1410	12.87
15	A	1442	1367	12.96
16	A	1435	1360	254.06
17	A	1386	1314	35.74
18	A	1324	1255	9.34
19	A	1217	1153	18.31
20	A	1183	1121	2.79
21	A	1147	1088	37.92
22	A	1087	1030	16.44
23	A	1003	951	5.18
24	A	914	866	2.06
25	A	840	796	1.43
26	A	774	733	67.93
27	A	657	623	36.36
28	A	606	575	193.44
29	A	568	539	45.05
30	A	519	492	51.34
31	A	431	409	44.43
32	A	367	348	0.16
33	A	276	261	2.15
34	A	205	194	1.64
35	A	120	114	8.97
36	A	69	65	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	-2.626	-0.064	-0.083
H2	-2.795	-1.140	-0.042
H3	-3.376	0.431	0.532
H4	-2.740	0.270	-1.114
C5	-1.223	0.274	0.414
H6	-1.071	1.350	0.377
H7	-1.118	-0.055	1.452
N8	-0.205	-0.379	-0.439
H9	-0.330	-1.387	-0.413
N10	1.468	1.195	-0.012
H11	2.458	1.254	0.205
H12	1.286	1.679	-0.888
C13	1.117	-0.150	-0.072
O14	1.904	-1.059	0.187

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0896	1.0892	1.0897	1.5267	2.1512	2.1527	2.4669	2.6697	4.2842	5.2596	4.3577	3.7443	4.6461
H2	1.0896		1.7704	1.7723	2.1627	3.0566	2.4944	2.7277	2.5041	4.8605	5.7771	5.0310	4.0353	4.7051
H3	1.0892	1.7704		1.7727	2.1622	2.4859	2.4864	3.4135	3.6703	4.9344	5.9003	5.0309	4.5707	5.4970
H4	1.0897	1.7723	1.7727		2.1532	2.4844	3.0536	2.7018	3.0068	4.4472	5.4515	4.2709	4.0171	5.0025
C5	1.5267	2.1627	2.1622	2.1532		1.0869	1.0945	1.4795	2.0583	2.8760	3.8142	3.1563	2.4272	3.4066
H6	2.1512	3.0566	2.4859	2.4844	1.0869		1.7697	2.0986	2.9426	2.5740	3.5343	2.6955	2.6906	3.8327
H7	2.1527	2.4944	2.4864	3.0536	1.0945	1.7697		2.1249	2.4230	3.2239	4.0063	3.7765	2.7071	3.4262
N8	2.4669	2.7277	3.4135	2.7018	1.4795	2.0986	2.1249		1.0154	2.3369	3.1894	2.5808	1.3916	2.3032
H9	2.6697	2.5041	3.6703	3.0068	2.0583	2.9426	2.4230	1.0154		3.1716	3.8891	3.4977	1.9343	2.3369
N10	4.2842	4.8605	4.9344	4.4472	2.8760	2.5740	3.2239	2.3369	3.1716		1.0143	1.0177	1.3907	2.3038
H11	5.2596	5.7771	5.9003	5.4515	3.8142	3.5343	4.0063	3.1894	3.8891	1.0143		1.6579	1.9603	2.3778
H12	4.3577	5.0310	5.0309	4.2709	3.1563	2.6955	3.7765	2.5808	3.4977	1.0177	1.6579		2.0092	3.0055
C13	3.7443	4.0353	4.5707	4.0171	2.4272	2.6906	2.7071	1.3916	1.9343	1.3907	1.9603	2.0092		1.2302
O14	4.6461	4.7051	5.4970	5.0025	3.4066	3.8327	3.4262	2.3032	2.3369	2.3038	2.3778	3.0055	1.2302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.641	C1	C5	H7	109.312
C1	C5	N8	110.278	H2	C1	H3	108.695
H2	C1	H4	108.823	H2	C1	C5	110.389
H3	C1	H4	108.895	H3	C1	C5	110.372
H4	C1	C5	109.629	C5	N8	H9	109.771
C5	N8	C13	115.391	H6	C5	H7	108.442
H6	C5	N8	108.754	H7	C5	N8	110.385
N8	C13	N10	114.263	N8	C13	O14	122.804
H9	N8	C13	105.890	N10	C13	O14	122.930
H11	N10	H12	109.351	H11	N10	C13	108.169
H12	N10	C13	112.141

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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