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	hartrees
Energy at 0K	-302.557374
Energy at 298.15K	-302.567406
HF Energy	-301.961964
Nuclear repulsion energy	239.051201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3782	3651	40.74
2	A	3643	3516	34.99
3	A	3629	3503	50.31
4	A	3136	3028	34.51
5	A	3135	3026	42.09
6	A	3053	2947	39.26
7	A	3028	2923	24.54
8	A	3005	2901	51.40
9	A	1711	1652	325.36
10	A	1663	1605	314.49
11	A	1570	1516	9.74
12	A	1545	1492	12.53
13	A	1534	1481	8.48
14	A	1491	1439	28.98
15	A	1462	1411	1.35
16	A	1429	1379	390.49
17	A	1401	1352	24.23
18	A	1312	1267	0.34
19	A	1206	1164	1.92
20	A	1203	1161	19.40
21	A	1126	1087	21.36
22	A	1066	1029	18.40
23	A	989	955	2.04
24	A	890	859	4.92
25	A	862	832	1.37
26	A	721	696	57.10
27	A	557	538	5.87
28	A	533	515	187.07
29	A	524	506	14.65
30	A	430	415	8.95
31	A	361	349	0.02
32	A	294	284	284.76
33	A	253	244	13.56
34	A	201	194	5.85
35	A	61	58	0.00
36	A	50	48	12.64

Atom	x (Å)	y (Å)	z (Å)
C1	-2.671	-0.242	0.000
H2	-2.765	-0.877	0.899
H3	-3.503	0.483	0.001
H4	-2.765	-0.876	-0.899
C5	-1.312	0.510	0.000
H6	-1.249	1.157	-0.898
H7	-1.248	1.156	0.899
N8	-0.199	-0.471	-0.001
H9	-0.414	-1.465	-0.001
N10	1.489	1.196	0.000
H11	2.474	1.432	0.000
H12	0.803	1.940	-0.002
C13	1.168	-0.171	-0.000
O14	2.067	-1.075	0.000

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.1041	1.1036	1.1041	1.5534	2.1881	2.1882	2.4832	2.5670	4.4018	5.4113	4.1026	3.8397	4.8104
H2	1.1041		1.7890	1.7980	2.2002	3.1084	2.5363	2.7493	2.5846	4.8163	5.7955	4.6338	4.0952	4.9181
H3	1.1036	1.7890		1.7890	2.1914	2.5190	2.5191	3.4396	3.6520	5.0429	6.0526	4.5460	4.7166	5.7835
H4	1.1041	1.7980	1.7890		2.2002	2.5362	3.1085	2.7492	2.5850	4.8167	5.7959	4.6332	4.0957	4.9190
C5	1.5534	2.2002	2.1914	2.2002		1.1085	1.1085	1.4840	2.1695	2.8838	3.8973	2.5531	2.5717	3.7318
H6	2.1881	3.1084	2.5190	2.5362	1.1085		1.7963	2.1349	2.8941	2.8814	3.8398	2.3718	2.8997	4.0960
H7	2.1882	2.5363	2.5191	3.1085	1.1085	1.7963		2.1349	2.8938	2.8807	3.8390	2.3728	2.8989	4.0949
N8	2.4832	2.7493	3.4396	2.7492	1.4840	2.1349	2.1349		1.0170	2.3722	3.2817	2.6108	1.3991	2.3443
H9	2.5670	2.5846	3.6520	2.5850	2.1695	2.8941	2.8938	1.0170		3.2716	4.0915	3.6160	2.0440	2.5114
N10	4.4018	4.8163	5.0429	4.8167	2.8838	2.8814	2.8807	2.3722	3.2716		1.0135	1.0119	1.4041	2.3428
H11	5.4113	5.7955	6.0526	5.7959	3.8973	3.8398	3.8390	3.2817	4.0915	1.0135		1.7467	2.0684	2.5400
H12	4.1026	4.6338	4.5460	4.6332	2.5531	2.3718	2.3728	2.6108	3.6160	1.0119	1.7467		2.1421	3.2685
C13	3.8397	4.0952	4.7166	4.0957	2.5717	2.8997	2.8989	1.3991	2.0440	1.4041	2.0684	2.1421		1.2745
O14	4.8104	4.9181	5.7835	4.9190	3.7318	4.0960	4.0949	2.3443	2.5114	2.3428	2.5400	3.2685	1.2745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	109.437	C1	C5	H7	109.441
C1	C5	N8	109.655	H2	C1	H3	108.258
H2	C1	H4	109.026	H2	C1	C5	110.630
H3	C1	H4	108.258	H3	C1	C5	109.969
H4	C1	C5	110.631	C5	N8	H9	119.150
C5	N8	C13	126.220	H6	C5	H7	108.236
H6	C5	N8	110.024	H7	C5	N8	110.025
N8	C13	N10	115.613	N8	C13	O14	122.454
H9	N8	C13	114.629	N10	C13	O14	121.933
H11	N10	H12	119.182	H11	N10	C13	116.718
H12	N10	C13	124.100

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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