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	hartrees
Energy at 0K	-303.530693
Energy at 298.15K	-303.541032
HF Energy	-303.530693
Nuclear repulsion energy	254.269521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3717	3533	29.39
2	A	3605	3426	22.12
3	A	3211	3052	0.40
4	A	3166	3009	9.40
5	A	3116	2961	17.55
6	A	3103	2948	49.20
7	A	3049	2897	66.73
8	A	3025	2875	61.96
9	A	1831	1740	385.64
10	A	1667	1584	149.71
11	A	1573	1494	90.33
12	A	1536	1460	16.26
13	A	1527	1451	15.53
14	A	1525	1449	17.30
15	A	1504	1429	81.52
16	A	1462	1389	100.79
17	A	1449	1377	12.23
18	A	1343	1276	28.65
19	A	1297	1232	49.55
20	A	1184	1125	2.65
21	A	1143	1086	4.49
22	A	1128	1072	51.15
23	A	1101	1046	6.53
24	A	1055	1002	37.29
25	A	794	755	10.21
26	A	791	751	80.35
27	A	616	586	118.24
28	A	602	572	79.11
29	A	518	492	7.67
30	A	453	431	32.86
31	A	394	375	13.55
32	A	319	303	10.01
33	A	198	188	6.34
34	A	158	150	1.43
35	A	136	129	5.47
36	A	96	91	2.35

Atom	x (Å)	y (Å)	z (Å)
H1	2.534	0.663	0.149
O2	1.236	-1.333	-0.077
C3	0.759	-0.208	-0.016
N4	-0.590	0.041	-0.017
H5	1.277	1.700	0.581
N6	1.568	0.923	0.004
H7	-2.176	-1.105	-0.780
H8	-2.110	-1.006	0.997
H9	-0.911	-1.990	0.110
C10	-1.501	-1.074	0.085
H11	-0.503	2.035	-0.639
H12	-1.342	1.797	0.922
H13	-2.117	1.322	-0.599
C14	-1.156	1.365	-0.074

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3909	1.9834	3.1898	1.6856	1.0104	5.1159	5.0062	4.3483	4.3930	3.4240	4.1114	4.7562	3.7630
O2	2.3909		1.2229	2.2858	3.1033	2.2817	3.4917	3.5289	2.2536	2.7539	3.8313	4.1759	4.3082	3.6057
C3	1.9834	1.2229		1.3725	2.0652	1.3910	3.1633	3.1453	2.4461	2.4225	2.6479	3.0522	3.3095	2.4796
N4	3.1898	2.2858	1.3725		2.5687	2.3324	2.0998	2.1049	2.0599	1.4427	2.0909	2.1290	2.0761	1.4415
H5	1.6856	3.1033	2.0652	2.5687		1.0104	4.6524	4.3547	4.3160	3.9569	2.1835	2.6427	3.6129	2.5422
N6	1.0104	2.2817	1.3910	2.3324	1.0104		4.3302	4.2702	3.8274	3.6628	2.4368	3.1742	3.7554	2.7615
H7	5.1159	3.4917	3.1633	2.0998	4.6524	4.3302		1.7810	1.7827	1.0979	3.5605	3.4663	2.4339	2.7637
H8	5.0062	3.5289	3.1453	2.1049	4.3547	4.2702	1.7810		1.7863	1.0986	3.8083	2.9071	2.8219	2.7705
H9	4.3483	2.2536	2.4461	2.0599	4.3160	3.8274	1.7827	1.7863		1.0900	4.1146	3.8972	3.5953	3.3692
C10	4.3930	2.7539	2.4225	1.4427	3.9569	3.6628	1.0979	1.0986	1.0900		3.3443	2.9949	2.5663	2.4682
H11	3.4240	3.8313	2.6479	2.0909	2.1835	2.4368	3.5605	3.8083	4.1146	3.3443		1.7885	1.7651	1.0933
H12	4.1114	4.1759	3.0522	2.1290	2.6427	3.1742	3.4663	2.9071	3.8972	2.9949	1.7885		1.7722	1.1018
H13	4.7562	4.3082	3.3095	2.0761	3.6129	3.7554	2.4339	2.8219	3.5953	2.5663	1.7651	1.7722		1.0953
C14	3.7630	3.6057	2.4796	1.4415	2.5422	2.7615	2.7637	2.7705	3.3692	2.4682	1.0933	1.1018	1.0953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.363	H1	N6	H5	113.059
O2	C3	N4	123.360	O2	C3	N6	121.462
C3	N4	C10	118.732	C3	N4	C14	123.550
C3	N6	H5	117.759	N4	C3	N6	115.128
N4	C10	H7	110.753	N4	C10	H8	111.122
N4	C10	H9	108.040	N4	C14	H11	110.397
N4	C14	H12	112.992	N4	C14	H13	109.089
H7	C10	H8	108.351	H7	C10	H9	109.140
H8	C10	H9	109.408	C10	N4	C14	117.691
H11	C14	H12	109.129	H11	C14	H13	107.515
H12	C14	H13	107.534

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

using model chemistry: PBE1PBE/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	0.361
2	O	-0.538
3	C	0.730
4	N	-0.452
5	H	0.345
6	N	-0.813
7	H	0.174
8	H	0.171
9	H	0.233
10	C	-0.384
11	H	0.205
12	H	0.174
13	H	0.192
14	C	-0.398

	x	y	z	Total
	-1.689	3.210	1.207	3.823
CHELPG
AIM
ESP

	x	y	z
x	8.522	-0.065	-0.054
y	-0.065	7.731	0.232
z	-0.054	0.232	4.907

<r²>	164.673
(<r²>)^1/2	12.833

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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