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	hartrees
Energy at 0K	-302.106801
Energy at 298.15K	-302.117369
Nuclear repulsion energy	256.238218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3955	3577	26.42
2	A	3844	3476	28.26
3	A	3344	3024	8.31
4	A	3287	2973	39.67
5	A	3239	2929	54.07
6	A	3231	2922	61.80
7	A	3182	2878	55.16
8	A	3167	2864	79.20
9	A	1933	1748	541.41
10	A	1821	1647	175.58
11	A	1666	1507	86.85
12	A	1650	1493	4.78
13	A	1641	1484	5.56
14	A	1637	1480	10.64
15	A	1626	1470	39.30
16	A	1583	1432	8.21
17	A	1553	1405	267.91
18	A	1417	1281	36.41
19	A	1385	1253	30.78
20	A	1275	1153	9.43
21	A	1233	1115	2.99
22	A	1214	1098	59.16
23	A	1177	1065	30.87
24	A	1113	1007	24.43
25	A	885	800	81.88
26	A	832	752	7.94
27	A	655	592	20.31
28	A	612	554	178.28
29	A	555	502	5.27
30	A	453	410	18.74
31	A	430	389	70.47
32	A	349	316	11.17
33	A	240	217	14.49
34	A	151	137	1.63
35	A	113	102	6.55
36	A	69	62	5.58

Atom	x (Å)	y (Å)	z (Å)
H1	-2.546	0.592	-0.064
O2	-1.165	-1.344	0.086
C3	-0.745	-0.228	-0.020
N4	0.584	0.063	-0.166
H5	-1.351	1.684	-0.462
N6	-1.593	0.855	0.025
H7	1.832	-1.174	1.009
H8	2.398	-0.838	-0.627
H9	1.059	-1.946	-0.365
C10	1.520	-1.036	-0.024
H11	0.711	2.123	-0.603
H12	2.170	1.378	-0.025
H13	0.875	1.733	1.107
C14	1.097	1.393	0.099

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3825	1.9796	3.1758	1.6670	0.9928	4.8406	5.1773	4.4192	4.3803	3.6396	4.7810	3.7915	3.7335
O2	2.3825		1.1974	2.2589	3.0827	2.2414	3.1403	3.6690	2.3481	2.7055	4.0022	4.3065	3.8304	3.5509
C3	1.9796	1.1974		1.3678	2.0539	1.3766	2.9310	3.2584	2.5149	2.4049	2.8263	3.3278	2.7817	2.4563
N4	3.1758	2.2589	1.3678		2.5414	2.3242	2.1136	2.0775	2.0745	1.4511	2.1097	2.0651	2.1191	1.4497
H5	1.6670	3.0827	2.0539	2.5414		0.9909	4.5234	4.5214	4.3586	3.9794	2.1136	3.5610	2.7237	2.5284
N6	0.9928	2.2414	1.3766	2.3242	0.9909		4.1005	4.3840	3.8774	3.6432	2.7040	3.7991	2.8340	2.7441
H7	4.8406	3.1403	2.9310	2.1136	4.5234	4.1005		1.7636	1.7550	1.0879	3.8374	2.7747	3.0617	2.8209
H8	5.1773	3.6690	3.2584	2.0775	4.5214	4.3840	1.7636		1.7580	1.0830	3.4075	2.3078	3.4542	2.6826
H9	4.4192	2.3481	2.5149	2.0745	4.3586	3.8774	1.7550	1.7580		1.0757	4.0910	3.5217	3.9666	3.3715
C10	4.3803	2.7055	2.4049	1.4511	3.9794	3.6432	1.0879	1.0830	1.0757		3.3121	2.5003	3.0597	2.4688
H11	3.6396	4.0022	2.8263	2.1097	2.1136	2.7040	3.8374	3.4075	4.0910	3.3121		1.7366	1.7617	1.0842
H12	4.7810	4.3065	3.3278	2.0651	3.5610	3.7991	2.7747	2.3078	3.5217	2.5003	1.7366		1.7554	1.0800
H13	3.7915	3.8304	2.7817	2.1191	2.7237	2.8340	3.0617	3.4542	3.9666	3.0597	1.7617	1.7554		1.0860
C14	3.7335	3.5509	2.4563	1.4497	2.5284	2.7441	2.8209	2.6826	3.3715	2.4688	1.0842	1.0800	1.0860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	112.317	H1	N6	H5	114.357
O2	C3	N4	123.297	O2	C3	N6	120.944
C3	N4	C10	117.082	C3	N4	C14	121.304
C3	N6	H5	119.451	N4	C3	N6	115.748
N4	C10	H7	111.912	N4	C10	H8	109.275
N4	C10	H9	109.473	N4	C14	H11	111.925
N4	C14	H12	108.555	N4	C14	H13	112.591
H7	C10	H8	108.663	H7	C10	H9	108.419
H8	C10	H9	109.051	C10	N4	C14	116.659
H11	C14	H12	106.723	H11	C14	H13	108.541
H12	C14	H13	108.279

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

using model chemistry: HF/6-311G*

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	CHELPG	ESP
1	H	0.376	0.401	0.404
2	O	-0.524	-0.664	-0.631
3	C	0.795	0.948	0.835
4	N	-0.496	-0.385	-0.208
5	H	0.361	0.388	0.385
6	N	-0.903	-0.988	-0.956
7	H	0.205	0.080	0.125
8	H	0.208	0.065	0.104
9	H	0.260	0.079	0.118
10	C	-0.469	-0.091	-0.259
11	H	0.206	0.013	0.095
12	H	0.225	0.062	0.138
13	H	0.226	0.047	0.130
14	C	-0.469	0.044	-0.278

	x	y	z	Total
	1.648	3.597	-0.873	4.052
CHELPG
AIM
ESP	1.694	3.590	-0.884	4.067

	x	y	z
x	7.533	0.063	-0.005
y	0.063	7.371	-0.143
z	-0.005	-0.143	5.064

<r²>	162.732
(<r²>)^1/2	12.757

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

using model chemistry: HF/6-311G*

States and conformations

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