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	hartrees
Energy at 0K	-57.475640
Energy at 298.15K	-57.485623
Nuclear repulsion energy	139.226352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3781	3662	30.53
2	A	3629	3514	30.90
3	A	3179	3078	3.97
4	A	3144	3045	31.86
5	A	3088	2990	82.37
6	A	3068	2972	64.50
7	A	3022	2926	81.89
8	A	3004	2909	79.78
9	A	1663	1611	257.12
10	A	1612	1561	294.01
11	A	1532	1484	88.53
12	A	1525	1477	8.38
13	A	1518	1470	2.32
14	A	1508	1461	15.10
15	A	1490	1442	54.21
16	A	1456	1410	28.37
17	A	1426	1381	210.88
18	A	1283	1242	6.15
19	A	1267	1227	77.09
20	A	1165	1128	0.24
21	A	1124	1088	0.03
22	A	1087	1053	16.58
23	A	1061	1028	30.02
24	A	1020	988	26.27
25	A	745	722	0.23
26	A	735	712	48.69
27	A	577	559	5.97
28	A	532	515	147.21
29	A	500	484	10.64
30	A	404	391	187.43
31	A	387	375	3.96
32	A	303	293	9.95
33	A	212	205	3.26
34	A	151	146	0.12
35	A	101	98	3.69
36	A	45	43	10.43

Atom	x (Å)	y (Å)	z (Å)
H1	-2.648	0.583	0.000
O2	-1.212	-1.461	-0.000
C3	-0.774	-0.263	-0.000
N4	0.589	0.054	-0.001
H5	-1.386	1.795	0.001
N6	-1.663	0.821	0.000
H7	2.220	-0.996	0.901
H8	2.222	-0.996	-0.898
H9	1.034	-1.999	-0.000
C10	1.579	-1.047	0.000
H11	0.744	2.004	-0.899
H12	2.176	1.442	-0.003
H13	0.749	2.002	0.901
C14	1.077	1.449	-0.000

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4980	2.0568	3.2805	1.7501	1.0138	5.1961	5.1977	4.4971	4.5308	3.7859	4.9005	3.7900	3.8245
O2	2.4980		1.2752	2.3537	3.2611	2.3265	3.5781	3.5795	2.3094	2.8217	4.0786	4.4616	4.0800	3.7025
C3	2.0568	1.2752		1.3994	2.1482	1.4028	3.2105	3.2116	2.5058	2.4799	2.8721	3.4072	2.8741	2.5214
N4	3.2805	2.3537	1.3994		2.6338	2.3794	2.1384	2.1383	2.1006	1.4806	2.1521	2.1081	2.1523	1.4780
H5	1.7501	3.2611	2.1482	2.6338		1.0126	4.6483	4.6496	4.5007	4.1080	2.3219	3.5804	2.3262	2.4874
N6	1.0138	2.3265	1.4028	2.3794	1.0126		4.3804	4.3818	3.9022	3.7420	2.8281	3.8891	2.8320	2.8107
H7	5.1961	3.5781	3.2105	2.1384	4.6483	4.3804		1.7987	1.7953	1.1058	3.7967	2.6004	3.3394	2.8458
H8	5.1977	3.5795	3.2116	2.1383	4.6496	4.3818	1.7987		1.7954	1.1058	3.3437	2.5968	3.7938	2.8453
H9	4.4971	2.3094	2.5058	2.1006	4.5007	3.9022	1.7953	1.7954		1.0971	4.1124	3.6253	4.1110	3.4486
C10	4.5308	2.8217	2.4799	1.4806	4.1080	3.7420	1.1058	1.1058	1.0971		3.2883	2.5593	3.2858	2.5465
H11	3.7859	4.0786	2.8721	2.1521	2.3219	2.8281	3.7967	3.3437	4.1124	3.2883		1.7805	1.8002	1.1070
H12	4.9005	4.4616	3.4072	2.1081	3.5804	3.8891	2.6004	2.5968	3.6253	2.5593	1.7805		1.7806	1.0997
H13	3.7900	4.0800	2.8741	2.1523	2.3262	2.8320	3.3394	3.7938	4.1110	3.2858	1.8002	1.7806		1.1071
C14	3.8245	3.7025	2.5214	1.4780	2.4874	2.8107	2.8458	2.8453	3.4486	2.5465	1.1070	1.0997	1.1071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	115.732	H1	N6	H5	119.459
O2	C3	N4	123.219	O2	C3	N6	120.547
C3	N4	C10	118.844	C3	N4	C14	122.365
C3	N6	H5	124.810	N4	C3	N6	116.234
N4	C10	H7	110.704	N4	C10	H8	110.694
N4	C10	H9	108.235	N4	C14	H11	111.913
N4	C14	H12	108.847	N4	C14	H13	111.929
H7	C10	H8	108.833	H7	C10	H9	109.170
H8	C10	H9	109.174	C10	N4	C14	118.791
H11	C14	H12	107.583	H11	C14	H13	108.793
H12	C14	H13	107.591

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

using model chemistry: B3LYP/CEP-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	0.328
2	O	-0.187
3	C	-0.290
4	N	0.057
5	H	0.310
6	N	-0.408
7	H	0.171
8	H	0.171
9	H	0.251
10	C	-0.467
11	H	0.178
12	H	0.213
13	H	0.178
14	C	-0.503

	x	y	z	Total
	2.098	4.594	0.003	5.050
CHELPG
AIM
ESP

	x	y	z
x	8.348	0.117	0.001
y	0.117	7.901	0.002
z	0.001	0.002	4.800

<r²>	141.827
(<r²>)^1/2	11.909

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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