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	hartrees
Energy at 0K	-303.692783
Energy at 298.15K	-303.702943
HF Energy	-303.692783
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3595	3525	17.21
2	A	3481	3413	8.60
3	A	3133	3072	1.96
4	A	3086	3026	14.18
5	A	3032	2972	30.95
6	A	3012	2953	59.14
7	A	2964	2906	85.26
8	A	2933	2876	81.85
9	A	1753	1718	321.73
10	A	1638	1606	106.87
11	A	1533	1503	35.07
12	A	1508	1479	13.22
13	A	1498	1469	8.36
14	A	1496	1467	15.77
15	A	1467	1438	52.92
16	A	1418	1390	9.24
17	A	1405	1377	166.14
18	A	1273	1248	34.71
19	A	1256	1231	44.23
20	A	1160	1137	2.83
21	A	1120	1098	4.34
22	A	1095	1074	79.10
23	A	1070	1049	10.20
24	A	1009	989	32.79
25	A	762	747	70.32
26	A	754	739	30.29
27	A	611	599	147.68
28	A	580	569	26.82
29	A	506	496	9.53
30	A	449	440	25.59
31	A	383	376	10.95
32	A	304	299	8.32
33	A	189	186	5.22
34	A	157	154	1.52
35	A	123	121	5.58
36	A	84	83	1.07

Atom	x (Å)	y (Å)	z (Å)
H1	2.544	0.672	0.169
O2	1.254	-1.343	-0.077
C3	0.767	-0.212	-0.018
N4	-0.595	0.038	-0.034
H5	1.281	1.700	0.606
N6	1.578	0.938	0.003
H7	-2.211	-1.108	-0.765
H8	-2.109	-1.004	1.018
H9	-0.928	-2.004	0.108
C10	-1.516	-1.082	0.091
H11	-1.331	1.801	0.934
H12	-2.142	1.331	-0.581
H13	-0.518	2.046	-0.649
C14	-1.167	1.373	-0.074

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4057	1.9936	3.2094	1.6861	1.0156	5.1625	5.0183	4.3844	4.4236	4.1083	4.7908	3.4546	3.7846
O2	2.4057		1.2331	2.3080	3.1194	2.3056	3.5399	3.5529	2.2875	2.7872	4.1937	4.3509	3.8667	3.6383
C3	1.9936	1.2331		1.3850	2.0760	1.4074	3.1982	3.1580	2.4702	2.4457	3.0590	3.3400	2.6732	2.5010
N4	3.2094	2.3080	1.3850		2.5879	2.3530	2.1109	2.1176	2.0731	1.4548	2.1417	2.0885	2.1016	1.4534
H5	1.6861	3.1194	2.0760	2.5879		1.0164	4.6863	4.3564	4.3417	3.9790	2.6351	3.6417	2.2210	2.5620
N6	1.0156	2.3056	1.4074	2.3530	1.0164		4.3742	4.2895	3.8664	3.6964	3.1743	3.7857	2.4590	2.7805
H7	5.1625	3.5399	3.1982	2.1109	4.6863	4.3742		1.7888	1.7914	1.1022	3.4810	2.4466	3.5812	2.7790
H8	5.0183	3.5529	3.1580	2.1176	4.3564	4.2895	1.7888		1.7946	1.1036	2.9117	2.8302	3.8225	2.7807
H9	4.3844	2.2875	2.4702	2.0731	4.3417	3.8664	1.7914	1.7946		1.0933	3.9135	3.6145	4.1400	3.3901
C10	4.4236	2.7872	2.4457	1.4548	3.9790	3.6964	1.1022	1.1036	1.0933		3.0088	2.5812	3.3652	2.4852
H11	4.1083	4.1937	3.0590	2.1417	2.6351	3.1743	3.4810	2.9117	3.9135	3.0088		1.7808	1.7959	1.1070
H12	4.7908	4.3509	3.3400	2.0885	3.6417	3.7857	2.4466	2.8302	3.6145	2.5812	1.7808		1.7751	1.0993
H13	3.4546	3.8667	2.6732	2.1016	2.2210	2.4590	3.5812	3.8225	4.1400	3.3652	1.7959	1.7751		1.0970
C14	3.7846	3.6383	2.5010	1.4534	2.5620	2.7805	2.7790	2.7807	3.3901	2.4852	1.1070	1.0993	1.0970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.004	H1	N6	H5	112.266
O2	C3	N4	123.320	O2	C3	N6	121.172
C3	N4	C10	118.831	C3	N4	C14	123.992
C3	N6	H5	117.272	N4	C3	N6	115.502
N4	C10	H7	110.639	N4	C10	H8	110.989
N4	C10	H9	108.066	N4	C14	H11	112.792
N4	C14	H12	109.117	N4	C14	H13	110.300
H7	C10	H8	108.353	H7	C10	H9	109.252
H8	C10	H9	109.522	C10	N4	C14	117.134
H11	C14	H12	107.598	H11	C14	H13	109.214
H12	C14	H13	107.655

All results from a given calculation for N(CH₃)₂CONH₂ (Urea, N,N-dimethyl-)

using model chemistry: B97D3/6-31G*

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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Number	Element	Mulliken
1	H	0.335
2	O	-0.514
3	C	0.671
4	N	-0.396
5	H	0.319
6	N	-0.751
7	H	0.153
8	H	0.149
9	H	0.208
10	C	-0.331
11	H	0.150
12	H	0.168
13	H	0.183
14	C	-0.343

	x	y	z	Total
	-1.711	3.055	1.240	3.714
CHELPG
AIM
ESP

	x	y	z
x	9.025	-0.029	-0.045
y	-0.029	8.108	0.252
z	-0.045	0.252	5.018

<r²>	167.023
(<r²>)^1/2	12.924

All results from a given calculation for N(CH3)2CONH2 (Urea, N,N-dimethyl-)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for N(CH₃)₂CONH₂ (Urea, N,N-dimethyl-)