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	hartrees
Energy at 0K	-302.986312
Energy at 298.15K	-302.996964
HF Energy	-302.046404
Nuclear repulsion energy	244.409252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3738	3507	29.29
2	A	3658	3433	27.77
3	A	3628	3405	27.38
4	A	3199	3002	19.90
5	A	3187	2990	27.31
6	A	3119	2926	30.20
7	A	3108	2916	13.48
8	A	3083	2893	32.13
9	A	1895	1778	506.48
10	A	1695	1591	162.03
11	A	1593	1495	2.27
12	A	1564	1467	3.15
13	A	1555	1459	6.96
14	A	1521	1427	29.97
15	A	1498	1406	255.34
16	A	1478	1387	20.33
17	A	1413	1326	16.58
18	A	1345	1262	6.28
19	A	1245	1168	19.46
20	A	1207	1133	2.68
21	A	1179	1107	33.15
22	A	1113	1044	11.58
23	A	1029	965	3.44
24	A	934	876	1.68
25	A	848	796	0.94
26	A	809	759	107.31
27	A	656	616	36.56
28	A	624	586	221.92
29	A	576	540	22.55
30	A	516	484	54.53
31	A	424	398	78.82
32	A	374	351	0.62
33	A	281	264	2.87
34	A	208	195	1.82
35	A	121	113	9.83
36	A	65	61	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	-2.612	-0.222	0.003
H2	-2.679	-1.032	0.737
H3	-3.429	0.478	0.197
H4	-2.747	-0.645	-0.996
C5	-1.270	0.488	0.106
H6	-1.249	1.311	-0.620
H7	-1.152	0.931	1.104
N8	-0.193	-0.448	-0.185
H9	-0.393	-1.430	-0.058
N10	1.456	1.172	0.041
H11	2.447	1.350	-0.045
H12	0.862	1.835	-0.437
C13	1.147	-0.175	-0.025
O14	1.989	-1.052	0.078

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0947	1.0933	1.0937	1.5222	2.1438	2.1619	2.4366	2.5275	4.3003	5.2972	4.0616	3.7590	4.6755
H2	1.0947		1.7702	1.7768	2.1673	3.0620	2.5145	2.7155	2.4534	4.7376	5.7061	4.7056	3.9941	4.7145
H3	1.0933	1.7702		1.7749	2.1613	2.4721	2.4926	3.3873	3.5953	4.9363	5.9447	4.5452	4.6274	5.6309
H4	1.0937	1.7768	1.7749		2.1638	2.4923	3.0725	2.6867	2.6532	4.6948	5.6440	4.4149	4.0403	4.8730
C5	1.5222	2.1673	2.1613	2.1638		1.0975	1.0983	1.4560	2.1160	2.8107	3.8176	2.5795	2.5092	3.6042
H6	2.1438	3.0620	2.4721	2.4923	1.0975		1.7681	2.0973	2.9269	2.7882	3.7406	2.1835	2.8820	4.0692
H7	2.1619	2.5145	2.4926	3.0725	1.0983	1.7681		2.1175	2.7394	2.8267	3.8008	2.6926	2.7900	3.8538
N8	2.4366	2.7155	3.3873	2.6867	1.4560	2.0973	2.1175		1.0110	2.3226	3.1965	2.5276	1.3765	2.2793
H9	2.5275	2.4534	3.5953	2.6532	2.1160	2.9269	2.7394	1.0110		3.1940	3.9737	3.5191	1.9864	2.4152
N10	4.3003	4.7376	4.9363	4.6948	2.8107	2.7882	2.8267	2.3226	3.1940		1.0101	1.0099	1.3844	2.2877
H11	5.2972	5.7061	5.9447	5.6440	3.8176	3.7406	3.8008	3.1965	3.9737	1.0101		1.7027	2.0040	2.4481
H12	4.0616	4.7056	4.5452	4.4149	2.5795	2.1835	2.6926	2.5276	3.5191	1.0099	1.7027		2.0721	3.1418
C13	3.7590	3.9941	4.6274	4.0403	2.5092	2.8820	2.7900	1.3765	1.9864	1.3844	2.0040	2.0721		1.2199
O14	4.6755	4.7145	5.6309	4.8730	3.6042	4.0692	3.8538	2.2793	2.4152	2.2877	2.4481	3.1418	1.2199

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.751	C1	C5	H7	110.119
C1	C5	N8	109.781	H2	C1	H3	108.006
H2	C1	H4	108.568	H2	C1	C5	110.764
H3	C1	H4	108.497	H3	C1	C5	110.373
H4	C1	C5	110.553	C5	N8	H9	116.980
C5	N8	C13	124.696	H6	C5	H7	107.261
H6	C5	N8	109.641	H7	C5	N8	111.223
N8	C13	N10	114.541	N8	C13	O14	122.658
H9	N8	C13	111.701	N10	C13	O14	122.785
H11	N10	H12	114.897	H11	N10	C13	112.693
H12	N10	C13	119.039

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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