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	hartrees
Energy at 0K	-303.649364
Energy at 298.15K	-303.659519
HF Energy	-303.649364
Nuclear repulsion energy	247.048912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3696	3696	32.33
2	A	3195	3195	0.00
3	A	3143	3143	0.00
4	A	3079	3079	1.82
5	A	1754	1754	217.31
6	A	1584	1584	46.90
7	A	1560	1560	0.00
8	A	1539	1539	5.54
9	A	1494	1494	49.11
10	A	1242	1242	3.81
11	A	1214	1214	16.85
12	A	1191	1191	0.00
13	A	954	954	7.77
14	A	517	517	1.06
15	A	335	335	0.00
16	A	248	248	2.05
17	A	173	173	0.00
18	A	106	106	0.00
19	B	3688	3688	10.31
20	B	3195	3195	1.02
21	B	3143	3143	78.62
22	B	3078	3078	122.06
23	B	1634	1634	460.42
24	B	1560	1560	25.19
25	B	1551	1551	127.92
26	B	1501	1501	1.82
27	B	1314	1314	211.22
28	B	1196	1196	3.00
29	B	1189	1189	43.24
30	B	1090	1090	0.17
31	B	779	779	78.95
32	B	720	720	2.49
33	B	568	568	315.81
34	B	385	385	29.70
35	B	141	141	14.38
36	B	111	111	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.093
O2	0.000	0.000	1.343
N3	0.000	1.160	-0.646
N4	0.000	-1.160	-0.646
C5	0.002	2.462	-0.002
C6	-0.002	-2.462	-0.002
H7	0.001	1.117	-1.653
H8	-0.001	-1.117	-1.653
H9	0.893	3.037	-0.268
H10	-0.893	-3.037	-0.268
H11	0.001	2.290	1.074
H12	-0.001	-2.290	1.074
H13	-0.888	3.040	-0.268
H14	0.888	-3.040	-0.268

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2493	1.3755	1.3755	2.4640	2.4640	2.0727	2.0727	3.1866	3.1866	2.4911	2.4911	3.1877	3.1877
O2	1.2493		2.3024	2.3024	2.8056	2.8056	3.1968	3.1968	3.5521	3.5521	2.3056	2.3056	3.5533	3.5533
N3	1.3755	2.3024		2.3193	1.4531	3.6787	1.0071	2.4891	2.1137	4.3078	2.0585	3.8548	2.1136	4.3092
N4	1.3755	2.3024	2.3193		3.6787	1.4531	2.4891	1.0071	4.3078	2.1137	3.8548	2.0585	4.3092	2.1136
C5	2.4640	2.8056	1.4531	3.6787		4.9244	2.1291	3.9414	1.0938	5.5783	1.0900	4.8724	1.0938	5.5795
C6	2.4640	2.8056	3.6787	1.4531	4.9244		3.9414	2.1291	5.5783	1.0938	4.8724	1.0900	5.5795	1.0938
H7	2.0727	3.1968	1.0071	2.4891	2.1291	3.9414		2.2340	2.5304	4.4696	2.9682	4.3637	2.5306	4.4704
H8	2.0727	3.1968	2.4891	1.0071	3.9414	2.1291	2.2340		4.4696	2.5304	4.3637	2.9682	4.4704	2.5306
H9	3.1866	3.5521	2.1137	4.3078	1.0938	5.5783	2.5304	4.4696		6.3322	1.7763	5.5660	1.7814	6.0775
H10	3.1866	3.5521	4.3078	2.1137	5.5783	1.0938	4.4696	2.5304	6.3322		5.5660	1.7763	6.0775	1.7814
H11	2.4911	2.3056	2.0585	3.8548	1.0900	4.8724	2.9682	4.3637	1.7763	5.5660		4.5798	1.7763	5.5675
H12	2.4911	2.3056	3.8548	2.0585	4.8724	1.0900	4.3637	2.9682	5.5660	1.7763	4.5798		5.5675	1.7763
H13	3.1877	3.5533	2.1136	4.3092	1.0938	5.5795	2.5306	4.4704	1.7814	6.0775	1.7763	5.5675		6.3342
H14	3.1877	3.5533	4.3092	2.1136	5.5795	1.0938	4.4704	2.5306	6.0775	1.7814	5.5675	1.7763	6.3342

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	121.154	C1	N3	H7	120.105
C1	N4	C6	121.154	C1	N4	H8	120.105
O2	C1	N3	122.533	O2	C1	N4	122.533
N3	C1	N4	114.935	N3	C5	H9	111.400
N3	C5	H11	107.218	N3	C5	H13	111.392
N4	C6	H10	111.400	N4	C6	H12	107.218
N4	C6	H14	111.392	C5	N3	H7	118.740
C6	N4	H8	118.740	H9	C5	H11	108.857
H9	C5	H13	109.038	H10	C6	H12	108.857
H10	C6	H14	109.038	H11	C5	H13	108.860
H12	C6	H14	108.860

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)

using model chemistry: M06-2X/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	C	0.747
2	O	-0.514
3	N	-0.717
4	N	-0.717
5	C	-0.268
6	C	-0.268
7	H	0.326
8	H	0.326
9	H	0.159
10	H	0.159
11	H	0.225
12	H	0.225
13	H	0.159
14	H	0.159

	x	y	z
x	4.504	0.003	0.000
y	0.003	9.179	0.000
z	0.000	0.000	6.813

<r²>	194.787
(<r²>)^1/2	13.957

All results from a given calculation for NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for NH(CH₃)CONH(CH₃) (Urea, N,N'-dimethyl-)