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	hartrees
Energy at 0K	-302.932241
Energy at 298.15K	-302.942859
HF Energy	-302.044960
Nuclear repulsion energy	243.835826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3719	3507	32.09
2	A	3620	3414	30.61
3	A	3598	3393	28.18
4	A	3213	3030	17.11
5	A	3201	3019	23.26
6	A	3130	2952	28.75
7	A	3112	2935	13.07
8	A	3085	2909	31.35
9	A	1845	1740	409.26
10	A	1678	1582	152.72
11	A	1591	1500	2.44
12	A	1566	1477	5.06
13	A	1558	1469	6.90
14	A	1496	1411	11.44
15	A	1473	1389	98.62
16	A	1470	1386	181.60
17	A	1399	1320	19.29
18	A	1340	1264	6.84
19	A	1232	1162	21.89
20	A	1202	1134	2.51
21	A	1166	1099	28.79
22	A	1104	1041	14.69
23	A	1018	960	2.93
24	A	926	873	1.48
25	A	847	799	0.89
26	A	786	741	106.59
27	A	658	620	34.76
28	A	625	589	230.18
29	A	563	531	16.11
30	A	511	482	45.73
31	A	424	400	72.72
32	A	370	349	0.64
33	A	286	269	2.87
34	A	205	194	1.61
35	A	122	115	9.65
36	A	64	60	0.41

Atom	x (Å)	y (Å)	z (Å)
C1	-2.608	-0.224	0.004
H2	-2.672	-1.050	0.718
H3	-3.423	0.472	0.218
H4	-2.747	-0.623	-1.004
C5	-1.269	0.485	0.116
H6	-1.249	1.322	-0.592
H7	-1.143	0.906	1.123
N8	-0.197	-0.446	-0.206
H9	-0.390	-1.429	-0.049
N10	1.447	1.181	0.046
H11	2.440	1.348	-0.056
H12	0.865	1.824	-0.476
C13	1.145	-0.173	-0.028
O14	1.995	-1.054	0.085

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0940	1.0927	1.0927	1.5190	2.1422	2.1617	2.4305	2.5249	4.2910	5.2872	4.0598	3.7534	4.6780
H2	1.0940		1.7689	1.7756	2.1641	3.0599	2.5146	2.7096	2.4368	4.7313	5.6987	4.7104	3.9862	4.7093
H3	1.0927	1.7689		1.7744	2.1568	2.4707	2.4909	3.3812	3.5895	4.9241	5.9346	4.5494	4.6200	5.6305
H4	1.0927	1.7756	1.7744		2.1603	2.4891	3.0712	2.6781	2.6677	4.6841	5.6292	4.3944	4.0376	4.8845
C5	1.5190	2.1641	2.1568	2.1603		1.0969	1.0983	1.4559	2.1125	2.8041	3.8118	2.5878	2.5059	3.6085
H6	2.1422	3.0599	2.4707	2.4891	1.0969		1.7676	2.0940	2.9331	2.7740	3.7282	2.1761	2.8788	4.0782
H7	2.1617	2.5146	2.4909	3.0712	1.0983	1.7676		2.1190	2.7193	2.8185	3.7980	2.7261	2.7795	3.8430
N8	2.4305	2.7096	3.3812	2.6781	1.4559	2.0940	2.1190		1.0139	2.3262	3.1930	2.5207	1.3807	2.2930
H9	2.5249	2.4368	3.5895	2.6677	2.1125	2.9331	2.7193	1.0139		3.1929	3.9653	3.5128	1.9836	2.4182
N10	4.2910	4.7313	4.9241	4.6841	2.8041	2.7740	2.8185	2.3262	3.1929		1.0125	1.0119	1.3891	2.3016
H11	5.2872	5.6987	5.9346	5.6292	3.8118	3.7282	3.7980	3.1930	3.9653	1.0125		1.6980	1.9981	2.4474
H12	4.0598	4.7104	4.5494	4.3944	2.5878	2.1761	2.7261	2.5207	3.5128	1.0119	1.6980		2.0658	3.1425
C13	3.7534	3.9862	4.6200	4.0376	2.5059	2.8788	2.7795	1.3807	1.9836	1.3891	1.9981	2.0658		1.2294
O14	4.6780	4.7093	5.6305	4.8845	3.6085	4.0782	3.8430	2.2930	2.4182	2.3016	2.4474	3.1425	1.2294

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.877	C1	C5	H7	110.332
C1	C5	N8	109.550	H2	C1	H3	107.990
H2	C1	H4	108.584	H2	C1	C5	110.782
H3	C1	H4	108.574	H3	C1	C5	110.282
H4	C1	C5	110.552	C5	N8	H9	116.443
C5	N8	C13	124.093	H6	C5	H7	107.259
H6	C5	N8	109.418	H7	C5	N8	111.344
N8	C13	N10	114.242	N8	C13	O14	122.818
H9	N8	C13	110.929	N10	C13	O14	122.922
H11	N10	H12	114.029	H11	N10	C13	111.652
H12	N10	C13	117.864

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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