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	hartrees
Energy at 0K	-298.321010
Energy at 298.15K	-298.330766
Nuclear repulsion energy	249.098188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3747	3356	1.05
2	A	3549	3178	4.54
3	A	3426	3068	2.94
4	A	3400	3045	2.16
5	A	3384	3030	2.36
6	A	3364	3012	5.06
7	A	3241	2902	17.66
8	A	3211	2875	38.63
9	A	1889	1691	86.27
10	A	1724	1544	20.85
11	A	1642	1471	6.66
12	A	1628	1458	11.51
13	A	1618	1449	7.32
14	A	1616	1447	18.38
15	A	1514	1356	24.91
16	A	1457	1305	91.24
17	A	1432	1282	18.44
18	A	1392	1247	34.28
19	A	1289	1154	71.04
20	A	1197	1072	1.82
21	A	1163	1041	1.27
22	A	1145	1025	62.61
23	A	1111	995	0.41
24	A	1042	933	54.07
25	A	791	708	18.46
26	A	718	643	145.57
27	A	600	538	51.64
28	A	574	514	48.85
29	A	482	432	7.30
30	A	423	378	22.34
31	A	314	281	12.57
32	A	286	256	7.36
33	A	210	188	21.34
34	A	190	170	1.20
35	A	164	147	16.67
36	A	112	100	8.33

Atom	x (Å)	y (Å)	z (Å)
H1	2.594	0.685	0.069
O2	1.184	-1.411	-0.115
C3	0.767	-0.232	0.009
N4	-0.624	0.080	0.157
H5	1.353	1.613	0.778
N6	1.586	0.973	-0.024
H7	-2.135	-1.063	-0.839
H8	-2.132	-1.224	0.957
H9	-0.754	-1.926	-0.018
C10	-1.493	-1.098	0.062
H11	-1.547	1.920	0.782
H12	-1.973	1.355	-0.868
H13	-0.328	2.021	-0.547
C14	-1.154	1.419	-0.126

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.5331	2.0443	3.2750	1.7044	1.0521	5.1223	5.1735	4.2464	4.4587	4.3798	4.7101	3.2716	3.8242
O2	2.5331		1.2567	2.3589	3.1582	2.4193	3.4145	3.4896	2.0070	2.7008	4.4003	4.2647	3.7757	3.6713
C3	2.0443	1.2567		1.4334	2.0829	1.4567	3.1359	3.2077	2.2773	2.4213	3.2540	3.2866	2.5668	2.5375
N4	3.2750	2.3589	1.4334		2.5773	2.3899	2.1405	2.1484	2.0183	1.4670	2.1519	2.1210	2.0862	1.4682
H5	1.7044	3.1582	2.0829	2.5773		1.0527	4.6839	4.4971	4.1953	3.9950	2.9161	3.7201	2.1791	2.6721
N6	1.0521	2.4193	1.4567	2.3899	1.0527		4.3187	4.4283	3.7253	3.7113	3.3712	3.6780	2.2445	2.7783
H7	5.1223	3.4145	3.1359	2.1405	4.6839	4.3187		1.8038	1.8242	1.1072	3.4457	2.4233	3.5861	2.7622
H8	5.1735	3.4896	3.2077	2.1484	4.4971	4.4283	1.8038		1.8288	1.1068	3.2031	3.1639	4.0062	3.0195
H9	4.2464	2.0070	2.2773	2.0183	4.1953	3.7253	1.8242	1.8288		1.1135	4.0086	3.6026	4.0057	3.3714
C10	4.4587	2.7008	2.4213	1.4670	3.9950	3.7113	1.1072	1.1068	1.1135		3.1033	2.6671	3.3849	2.5468
H11	4.3798	4.4003	3.2540	2.1519	2.9161	3.3712	3.4457	3.2031	4.0086	3.1033		1.7960	1.8067	1.1096
H12	4.7101	4.2647	3.2866	2.1210	3.7201	3.6780	2.4233	3.1639	3.6026	2.6671	1.7960		1.8037	1.1070
H13	3.2716	3.7757	2.5668	2.0862	2.1791	2.2445	3.5861	4.0062	4.0057	3.3849	1.8067	1.8037		1.1054
C14	3.8242	3.6713	2.5375	1.4682	2.6721	2.7783	2.7622	3.0195	3.3714	2.5468	1.1096	1.1070	1.1054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	108.067	H1	N6	H5	108.151
O2	C3	N4	122.400	O2	C3	N6	125.995
C3	N4	C10	113.187	C3	N4	C14	121.968
C3	N6	H5	111.184	N4	C3	N6	111.569
N4	C10	H7	111.753	N4	C10	H8	112.423
N4	C10	H9	102.045	N4	C14	H11	112.443
N4	C14	H12	110.113	N4	C14	H13	107.474
H7	C10	H8	109.116	H7	C10	H9	110.462
H8	C10	H9	110.907	C10	N4	C14	120.382
H11	C14	H12	108.240	H11	C14	H13	109.303
H12	C14	H13	109.228

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

using model chemistry: LSDA/STO-3G

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	0.201
2	O	-0.229
3	C	0.210
4	N	-0.214
5	H	0.196
6	N	-0.390
7	H	0.094
8	H	0.096
9	H	0.123
10	C	-0.204
11	H	0.096
12	H	0.104
13	H	0.120
14	C	-0.202

	x	y	z	Total
	-0.605	1.988	1.021	2.316
CHELPG
AIM
ESP

	x	y	z
x	5.705	-0.025	-0.165
y	-0.025	4.853	0.302
z	-0.165	0.302	2.239

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/STO-3G

States and conformations

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