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	hartrees
Energy at 0K	-303.779129
Energy at 298.15K	-303.789418
Nuclear repulsion energy	253.802388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3723	3569	30.64
2	A	3603	3453	21.30
3	A	3190	3057	0.55
4	A	3146	3015	10.28
5	A	3095	2966	18.94
6	A	3082	2953	51.94
7	A	3027	2901	70.16
8	A	3003	2878	66.40
9	A	1808	1733	375.49
10	A	1633	1565	155.53
11	A	1553	1489	80.14
12	A	1517	1453	14.35
13	A	1507	1444	13.08
14	A	1505	1443	19.13
15	A	1485	1424	76.35
16	A	1442	1382	106.93
17	A	1432	1372	11.88
18	A	1321	1266	29.23
19	A	1282	1228	51.25
20	A	1172	1123	2.53
21	A	1131	1084	3.54
22	A	1108	1061	47.75
23	A	1089	1044	7.21
24	A	1041	998	38.20
25	A	783	750	4.98
26	A	776	744	67.17
27	A	604	579	24.74
28	A	583	559	171.73
29	A	514	493	6.76
30	A	441	423	33.78
31	A	390	374	15.01
32	A	316	303	11.36
33	A	196	188	6.35
34	A	156	149	1.30
35	A	135	130	5.14
36	A	95	91	2.50

Atom	x (Å)	y (Å)	z (Å)
H1	2.538	0.665	0.143
O2	1.239	-1.334	-0.077
C3	0.762	-0.206	-0.016
N4	-0.592	0.041	-0.016
H5	1.282	1.709	0.570
N6	1.573	0.924	0.005
H7	-2.178	-1.110	-0.780
H8	-2.109	-1.017	0.996
H9	-0.910	-1.993	0.105
C10	-1.502	-1.079	0.084
H11	-0.509	2.041	-0.634
H12	-1.354	1.798	0.922
H13	-2.120	1.325	-0.602
C14	-1.163	1.368	-0.073

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3937	1.9853	3.1957	1.6887	1.0094	5.1233	5.0157	4.3536	4.4008	3.4333	4.1280	4.7639	3.7735
O2	2.3937		1.2255	2.2901	3.1105	2.2840	3.4958	3.5301	2.2547	2.7570	3.8410	4.1866	4.3159	3.6143
C3	1.9853	1.2255		1.3758	2.0690	1.3919	3.1691	3.1501	2.4494	2.4277	2.6548	3.0615	3.3157	2.4867
N4	3.1957	2.2901	1.3758		2.5756	2.3381	2.1036	2.1090	2.0626	1.4466	2.0944	2.1328	2.0802	1.4452
H5	1.6887	3.1105	2.0690	2.5756		1.0093	4.6623	4.3716	4.3268	3.9693	2.1832	2.6602	3.6183	2.5503
N6	1.0094	2.2840	1.3919	2.3381	1.0093		4.3389	4.2791	3.8321	3.6706	2.4476	3.1889	3.7641	2.7723
H7	5.1233	3.4958	3.1691	2.1036	4.6623	4.3389		1.7799	1.7815	1.0974	3.5684	3.4693	2.4421	2.7694
H8	5.0157	3.5301	3.1501	2.1090	4.3716	4.2791	1.7799		1.7850	1.0981	3.8166	2.9160	2.8353	2.7796
H9	4.3536	2.2547	2.4494	2.0626	4.3268	3.8321	1.7815	1.7850		1.0895	4.1206	3.9039	3.6023	3.3751
C10	4.4008	2.7570	2.4277	1.4466	3.9693	3.6706	1.0974	1.0981	1.0895		3.3515	3.0008	2.5752	2.4750
H11	3.4333	3.8410	2.6548	2.0944	2.1832	2.4476	3.5684	3.8166	4.1206	3.3515		1.7868	1.7629	1.0927
H12	4.1280	4.1866	3.0615	2.1328	2.6602	3.1889	3.4693	2.9160	3.9039	3.0008	1.7868		1.7706	1.1013
H13	4.7639	4.3159	3.3157	2.0802	3.6183	3.7641	2.4421	2.8353	3.6023	2.5752	1.7629	1.7706		1.0947
C14	3.7735	3.6143	2.4867	1.4452	2.5503	2.7723	2.7694	2.7796	3.3751	2.4750	1.0927	1.1013	1.0947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.517	H1	N6	H5	113.554
O2	C3	N4	123.267	O2	C3	N6	121.395
C3	N4	C10	118.642	C3	N4	C14	123.623
C3	N6	H5	118.130	N4	C3	N6	115.289
N4	C10	H7	110.807	N4	C10	H8	111.204
N4	C10	H9	108.012	N4	C14	H11	110.457
N4	C14	H12	113.071	N4	C14	H13	109.191
H7	C10	H8	108.324	H7	C10	H9	109.098
H8	C10	H9	109.367	C10	N4	C14	117.711
H11	C14	H12	109.055	H11	C14	H13	107.399
H12	C14	H13	107.470

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

using model chemistry: B3PW91/6-31G**

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	0.296
2	O	-0.542
3	C	0.728
4	N	-0.471
5	H	0.277
6	N	-0.679
7	H	0.131
8	H	0.128
9	H	0.186
10	C	-0.239
11	H	0.157
12	H	0.132
13	H	0.146
14	C	-0.251

	x	y	z	Total
	-1.682	3.239	1.147	3.826
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	165.207
(<r²>)^1/2	12.853

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

using model chemistry: B3PW91/6-31G**

States and conformations

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