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	hartrees
Energy at 0K	-303.057941
Energy at 298.15K	-303.068564
HF Energy	-302.115219
Nuclear repulsion energy	244.325614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3746	3560	25.24
2	A	3652	3470	24.28
3	A	3626	3446	21.38
4	A	3183	3025	20.02
5	A	3173	3015	28.00
6	A	3106	2952	26.08
7	A	3083	2930	16.65
8	A	3064	2912	35.79
9	A	1838	1747	451.23
10	A	1698	1614	151.49
11	A	1569	1491	2.58
12	A	1543	1466	5.63
13	A	1535	1459	9.06
14	A	1500	1425	12.55
15	A	1457	1385	213.65
16	A	1449	1377	74.92
17	A	1390	1320	19.79
18	A	1333	1267	5.52
19	A	1224	1163	20.20
20	A	1191	1132	1.55
21	A	1166	1108	36.57
22	A	1096	1041	15.11
23	A	1009	959	3.11
24	A	918	872	2.02
25	A	837	795	0.71
26	A	801	761	92.19
27	A	649	617	22.46
28	A	625	594	236.10
29	A	567	539	17.77
30	A	510	485	50.84
31	A	428	407	63.85
32	A	369	351	0.12
33	A	287	273	3.08
34	A	205	195	1.74
35	A	116	110	9.59
36	A	58	55	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-2.606	-0.221	0.008
H2	-2.671	-1.038	0.733
H3	-3.421	0.476	0.214
H4	-2.747	-0.634	-0.993
C5	-1.264	0.486	0.110
H6	-1.247	1.316	-0.605
H7	-1.134	0.914	1.113
N8	-0.195	-0.449	-0.208
H9	-0.390	-1.426	-0.051
N10	1.447	1.177	0.048
H11	2.435	1.345	-0.051
H12	0.866	1.816	-0.470
C13	1.145	-0.175	-0.031
O14	1.988	-1.051	0.087

	C1	H2	H3	H4	C5	H6	H7	N8	H9	N10	H11	H12	C13	O14
C1		1.0933	1.0918	1.0921	1.5201	2.1417	2.1626	2.4311	2.5228	4.2874	5.2788	4.0535	3.7518	4.6688
H2	1.0933		1.7667	1.7739	2.1653	3.0592	2.5137	2.7133	2.4429	4.7257	5.6886	4.7008	3.9865	4.7035
H3	1.0918	1.7667		1.7725	2.1588	2.4700	2.4960	3.3817	3.5875	4.9205	5.9256	4.5428	4.6186	5.6213
H4	1.0921	1.7739	1.7725		2.1607	2.4904	3.0711	2.6760	2.6587	4.6849	5.6259	4.3958	4.0354	4.8741
C5	1.5201	2.1653	2.1588	2.1607		1.0961	1.0976	1.4554	2.1087	2.7985	3.8010	2.5772	2.5028	3.5973
H6	2.1417	3.0592	2.4700	2.4904	1.0961		1.7675	2.0928	2.9262	2.7756	3.7238	2.1755	2.8774	4.0682
H7	2.1626	2.5137	2.4960	3.0711	1.0976	1.7675		2.1170	2.7173	2.8037	3.7779	2.7044	2.7727	3.8286
N8	2.4311	2.7133	3.3817	2.6760	1.4554	2.0928	2.1170		1.0090	2.3248	3.1870	2.5141	1.3795	2.2838
H9	2.5228	2.4429	3.5875	2.6587	2.1087	2.9262	2.7173	1.0090		3.1876	3.9568	3.5015	1.9806	2.4113
N10	4.2874	4.7257	4.9205	4.6849	2.7985	2.7756	2.8037	2.3248	3.1876		1.0071	1.0065	1.3878	2.2934
H11	5.2788	5.6886	5.9256	5.6259	3.8010	3.7238	3.7779	3.1870	3.9568	1.0071		1.6910	1.9932	2.4409
H12	4.0535	4.7008	4.5428	4.3958	2.5772	2.1755	2.7044	2.5141	3.5015	1.0065	1.6910		2.0576	3.1284
C13	3.7518	3.9865	4.6186	4.0354	2.5028	2.8774	2.7727	1.3795	1.9806	1.3878	1.9932	2.0576		1.2211
O14	4.6688	4.7035	5.6213	4.8741	3.5973	4.0682	3.8286	2.2838	2.4113	2.2934	2.4409	3.1284	1.2211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	H6	108.817	C1	C5	H7	110.363
C1	C5	N8	109.558	H2	C1	H3	107.907
H2	C1	H4	108.533	H2	C1	C5	110.837
H3	C1	H4	108.518	H3	C1	C5	110.411
H4	C1	C5	110.551	C5	N8	H9	116.499
C5	N8	C13	123.952	H6	C5	H7	107.360
H6	C5	N8	109.413	H7	C5	N8	111.270
N8	C13	N10	114.298	N8	C13	O14	122.728
H9	N8	C13	111.085	N10	C13	O14	122.938
H11	N10	H12	114.245	H11	N10	C13	111.679
H12	N10	C13	117.612

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-)