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	hartrees
Energy at 0K	-303.738966
Energy at 298.15K	-303.749216
Nuclear repulsion energy	254.597578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3718	3530	29.07
2	A	3605	3422	21.37
3	A	3222	3058	0.38
4	A	3170	3009	10.23
5	A	3123	2965	17.92
6	A	3109	2951	50.60
7	A	3056	2901	66.92
8	A	3031	2878	62.71
9	A	1833	1740	389.65
10	A	1660	1576	151.98
11	A	1572	1492	83.91
12	A	1538	1460	15.51
13	A	1528	1450	10.18
14	A	1524	1447	19.93
15	A	1502	1426	104.32
16	A	1461	1387	62.60
17	A	1448	1374	40.39
18	A	1340	1272	31.40
19	A	1293	1228	48.19
20	A	1183	1123	3.07
21	A	1142	1085	4.23
22	A	1120	1063	46.83
23	A	1098	1042	9.89
24	A	1053	999	35.75
25	A	791	751	17.09
26	A	789	749	72.00
27	A	613	582	113.27
28	A	600	570	83.74
29	A	512	486	6.64
30	A	448	426	38.60
31	A	388	369	9.03
32	A	305	290	7.95
33	A	191	181	6.15
34	A	152	144	2.35
35	A	127	120	3.92
36	A	88	83	3.20

Atom	x (Å)	y (Å)	z (Å)
H1	2.530	0.662	0.151
O2	1.232	-1.333	-0.074
C3	0.758	-0.210	-0.016
N4	-0.590	0.041	-0.017
H5	1.272	1.699	0.572
N6	1.566	0.920	0.002
H7	-2.180	-1.095	-0.777
H8	-2.104	-1.010	0.996
H9	-0.914	-1.987	0.099
C10	-1.502	-1.072	0.082
H11	-1.295	1.814	0.922
H12	-2.126	1.321	-0.559
H13	-0.515	2.024	-0.669
C14	-1.150	1.367	-0.072

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3904	1.9817	3.1852	1.6836	1.0088	5.1113	4.9976	4.3442	4.3887	4.0683	4.7558	3.4348	3.7529
O2	2.3904		1.2212	2.2833	3.1007	2.2792	3.4919	3.5186	2.2498	2.7509	4.1581	4.3085	3.8314	3.6012
C3	1.9817	1.2212		1.3708	2.0623	1.3892	3.1609	3.1387	2.4419	2.4201	3.0316	3.3101	2.6526	2.4756
N4	3.1852	2.2833	1.3708		2.5618	2.3283	2.0966	2.1029	2.0565	1.4420	2.1269	2.0719	2.0889	1.4408
H5	1.6836	3.1007	2.0623	2.5618		1.0089	4.6412	4.3489	4.3109	3.9509	2.5934	3.6015	2.1999	2.5276
N6	1.0088	2.2792	1.3892	2.3283	1.0089		4.3240	4.2637	3.8217	3.6583	3.1355	3.7561	2.4492	2.7531
H7	5.1113	3.4919	3.1609	2.0966	4.6412	4.3240		1.7771	1.7792	1.0953	3.4835	2.4266	3.5372	2.7609
H8	4.9976	3.5186	3.1387	2.1029	4.3489	4.2637	1.7771		1.7821	1.0960	2.9388	2.8020	3.8082	2.7754
H9	4.3442	2.2498	2.4419	2.0565	4.3109	3.8217	1.7792	1.7821		1.0875	3.9079	3.5839	4.1029	3.3667
C10	4.3887	2.7509	2.4201	1.4420	3.9509	3.6583	1.0953	1.0960	1.0875		3.0131	2.5550	3.3352	2.4695
H11	4.0683	4.1581	3.0316	2.1269	2.5934	3.1355	3.4835	2.9388	3.9079	3.0131		1.7681	1.7843	1.0993
H12	4.7558	4.3085	3.3101	2.0719	3.6015	3.7561	2.4266	2.8020	3.5839	2.5550	1.7681		1.7617	1.0924
H13	3.4348	3.8314	2.6526	2.0889	2.1999	2.4492	3.5372	3.8082	4.1029	3.3352	1.7843	1.7617		1.0912
C14	3.7529	3.6012	2.4756	1.4408	2.5276	2.7531	2.7609	2.7754	3.3667	2.4695	1.0993	1.0924	1.0912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.452	H1	N6	H5	113.102
O2	C3	N4	123.399	O2	C3	N6	121.514
C3	N4	C10	118.701	C3	N4	C14	123.386
C3	N6	H5	117.748	N4	C3	N6	115.037
N4	C10	H7	110.700	N4	C10	H8	111.171
N4	C10	H9	107.960	N4	C14	H11	113.041
N4	C14	H12	108.979	N4	C14	H13	110.422
H7	C10	H8	108.386	H7	C10	H9	109.193
H8	C10	H9	109.405	C10	N4	C14	117.885
H11	C14	H12	107.553	H11	C14	H13	109.093
H12	C14	H13	107.569

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

using model chemistry: B1B95/6-31G*

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	0.355
2	O	-0.536
3	C	0.716
4	N	-0.449
5	H	0.338
6	N	-0.795
7	H	0.165
8	H	0.162
9	H	0.225
10	C	-0.355
11	H	0.165
12	H	0.183
13	H	0.195
14	C	-0.369

	x	y	z	Total
	-1.699	3.213	1.190	3.824
CHELPG
AIM
ESP

	x	y	z
x	8.491	-0.057	-0.051
y	-0.057	7.720	0.229
z	-0.051	0.229	4.889

<r²>	164.226
(<r²>)^1/2	12.815

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

using model chemistry: B1B95/6-31G*

States and conformations

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