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	hartrees
Energy at 0K	-303.809894
Energy at 298.15K	-303.819976
HF Energy	-303.809894
Nuclear repulsion energy	252.767093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3628	3576	24.58
2	A	3514	3464	12.72
3	A	3112	3067	2.00
4	A	3067	3023	16.05
5	A	3025	2981	26.59
6	A	3004	2960	52.91
7	A	2952	2909	84.12
8	A	2922	2880	78.75
9	A	1708	1683	401.20
10	A	1603	1579	121.96
11	A	1508	1486	52.82
12	A	1482	1461	10.34
13	A	1474	1453	6.88
14	A	1471	1450	16.95
15	A	1448	1427	43.21
16	A	1403	1382	12.40
17	A	1383	1363	182.22
18	A	1254	1236	39.37
19	A	1241	1223	40.81
20	A	1145	1129	2.91
21	A	1105	1089	3.56
22	A	1072	1056	59.63
23	A	1055	1040	22.53
24	A	995	981	33.30
25	A	750	739	2.84
26	A	739	728	34.21
27	A	586	577	14.73
28	A	543	536	181.42
29	A	506	499	5.02
30	A	419	413	25.68
31	A	380	375	17.67
32	A	302	298	10.36
33	A	188	185	3.69
34	A	147	145	1.51
35	A	114	112	5.69
36	A	86	85	1.46

Atom	x (Å)	y (Å)	z (Å)
H1	2.546	0.680	0.178
O2	1.245	-1.345	-0.057
C3	0.765	-0.214	-0.018
N4	-0.592	0.038	-0.057
H5	1.268	1.741	0.500
N6	1.582	0.923	-0.002
H7	-2.244	-1.071	-0.745
H8	-2.070	-1.017	1.031
H9	-0.949	-2.004	0.052
C10	-1.520	-1.076	0.080
H11	-1.246	1.800	0.962
H12	-2.162	1.337	-0.485
H13	-0.557	2.050	-0.672
C14	-1.158	1.377	-0.053

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4176	2.0022	3.2121	1.6927	1.0105	5.1832	4.9913	4.4085	4.4296	4.0311	4.7999	3.4973	3.7756
O2	2.4176		1.2289	2.2996	3.1359	2.2926	3.5674	3.5046	2.2941	2.7815	4.1393	4.3574	3.8924	3.6303
C3	2.0022	1.2289		1.3813	2.0844	1.3997	3.2125	3.1277	2.4795	2.4439	3.0104	3.3458	2.7023	2.4956
N4	3.2121	2.2996	1.3813		2.5832	2.3481	2.1051	2.1162	2.0754	1.4554	2.1383	2.0824	2.1044	1.4534
H5	1.6927	3.1359	2.0844	2.5832		1.0106	4.6685	4.3620	4.3752	3.9851	2.5563	3.5913	2.1909	2.5139
N6	1.0105	2.2926	1.3997	2.3481	1.0106		4.3780	4.2617	3.8696	3.6904	3.1138	3.7977	2.5092	2.7771
H7	5.1832	3.5674	3.2125	2.1051	4.6685	4.3780		1.7848	1.7839	1.0979	3.4864	2.4241	3.5488	2.7664
H8	4.9913	3.5046	3.1277	2.1162	4.3620	4.2617	1.7848		1.7856	1.1001	2.9355	2.8015	3.8198	2.7811
H9	4.4085	2.2941	2.4795	2.0754	4.3752	3.8696	1.7839	1.7856		1.0899	3.9226	3.5951	4.1367	3.3887
C10	4.4296	2.7815	2.4439	1.4554	3.9851	3.6904	1.0979	1.1001	1.0899		3.0204	2.5603	3.3557	2.4825
H11	4.0311	4.1393	3.0104	2.1383	2.5563	3.1138	3.4864	2.9355	3.9226	3.0204		1.7745	1.7908	1.1032
H12	4.7999	4.3574	3.3458	2.0824	3.5913	3.7977	2.4241	2.8015	3.5951	2.5603	1.7745		1.7657	1.0945
H13	3.4973	3.8924	2.7023	2.1044	2.1909	2.5092	3.5488	3.8198	4.1367	3.3557	1.7908	1.7657		1.0940
C14	3.7756	3.6303	2.4956	1.4534	2.5139	2.7771	2.7664	2.7811	3.3887	2.4825	1.1032	1.0945	1.0940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	111.328	H1	N6	H5	113.766
O2	C3	N4	123.422	O2	C3	N6	121.294
C3	N4	C10	118.957	C3	N4	C14	123.361
C3	N6	H5	118.836	N4	C3	N6	115.202
N4	C10	H7	110.289	N4	C10	H8	111.047
N4	C10	H9	108.400	N4	C14	H11	112.808
N4	C14	H12	108.816	N4	C14	H13	110.606
H7	C10	H8	108.589	H7	C10	H9	109.250
H8	C10	H9	109.242	C10	N4	C14	117.179
H11	C14	H12	107.687	H11	C14	H13	109.182
H12	C14	H13	107.565

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

using model chemistry: B97D3/TZVP

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	0.233
2	O	-0.381
3	C	0.233
4	N	-0.170
5	H	0.216
6	N	-0.369
7	H	0.114
8	H	0.110
9	H	0.165
10	C	-0.248
11	H	0.123
12	H	0.127
13	H	0.143
14	C	-0.295

	x	y	z	Total
	-1.917	3.395	1.069	4.042
CHELPG
AIM
ESP

	x	y	z
x	9.972	-0.082	-0.062
y	-0.082	9.184	0.174
z	-0.062	0.174	6.282

<r²>	167.094
(<r²>)^1/2	12.926

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

using model chemistry: B97D3/TZVP

States and conformations

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