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	hartrees
Energy at 0K	-303.751823
Energy at 298.15K	-303.762035
HF Energy	-303.751823
Nuclear repulsion energy	248.843884

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3660	3478	28.44
2	A	3201	3042	5.86
3	A	3142	2986	9.48
4	A	3060	2909	3.59
5	A	1845	1754	257.23
6	A	1541	1465	18.25
7	A	1512	1437	0.48
8	A	1488	1415	5.19
9	A	1459	1387	4.38
10	A	1222	1161	1.03
11	A	1194	1135	2.06
12	A	1151	1094	6.03
13	A	948	901	1.82
14	A	550	523	77.24
15	A	445	423	49.67
16	A	243	231	2.55
17	A	195	185	0.01
18	A	115	109	0.52
19	B	3657	3476	12.79
20	B	3201	3042	3.50
21	B	3142	2986	48.48
22	B	3059	2908	104.21
23	B	1592	1513	441.89
24	B	1525	1449	6.40
25	B	1504	1430	84.47
26	B	1464	1392	7.76
27	B	1275	1212	190.43
28	B	1162	1104	10.76
29	B	1151	1094	19.62
30	B	1080	1026	1.12
31	B	775	737	32.13
32	B	743	706	23.49
33	B	511	486	125.58
34	B	345	328	46.67
35	B	130	123	5.08
36	B	113	107	5.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.087
O2	0.000	0.000	1.306
N3	0.000	1.158	-0.667
N4	0.000	-1.158	-0.667
C5	-0.215	2.415	0.025
C6	0.215	-2.415	0.025
H7	-0.404	1.080	-1.589
H8	0.404	-1.080	-1.589
H9	0.093	3.239	-0.622
H10	-0.093	-3.239	-0.622
H11	0.399	2.417	0.924
H12	-0.399	-2.417	0.924
H13	-1.259	2.562	0.327
H14	1.259	-2.562	0.327

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2184	1.3823	1.3823	2.4258	2.4258	2.0352	2.0352	3.3171	3.3171	2.5888	2.5888	2.8648	2.8648
O2	1.2184		2.2878	2.2878	2.7426	2.7426	3.1164	3.1164	3.7703	3.7703	2.4792	2.4792	3.0178	3.0178
N3	1.3823	2.2878		2.3161	1.4513	3.6462	1.0098	2.4543	2.0836	4.3983	2.0684	3.9337	2.1320	4.0514
N4	1.3823	2.2878	2.3161		3.6462	1.4513	2.4543	1.0098	4.3983	2.0836	3.9337	2.0684	4.0514	2.1320
C5	2.4258	2.7426	1.4513	3.6462		4.8499	2.1032	3.8998	1.0913	5.6926	1.0894	4.9189	1.0965	5.2001
C6	2.4258	2.7426	3.6462	1.4513	4.8499		3.8998	2.1032	5.6926	1.0913	4.9189	1.0894	5.2001	1.0965
H7	2.0352	3.1164	1.0098	2.4543	2.1032	3.8998		2.3070	2.4174	4.4373	2.9583	4.3070	2.5688	4.4393
H8	2.0352	3.1164	2.4543	1.0098	3.8998	2.1032	2.3070		4.4373	2.4174	4.3070	2.9583	4.4393	2.5688
H9	3.3171	3.7703	2.0836	4.3983	1.0913	5.6926	2.4174	4.4373		6.4807	1.7778	5.8841	1.7846	5.9929
H10	3.3171	3.7703	4.3983	2.0836	5.6926	1.0913	4.4373	2.4174	6.4807		5.8841	1.7778	5.9929	1.7846
H11	2.5888	2.4792	2.0684	3.9337	1.0894	4.9189	2.9583	4.3070	1.7778	5.8841		4.8994	1.7681	5.0881
H12	2.5888	2.4792	3.9337	2.0684	4.9189	1.0894	4.3070	2.9583	5.8841	1.7778	4.8994		5.0881	1.7681
H13	2.8648	3.0178	2.1320	4.0514	1.0965	5.2001	2.5688	4.4393	1.7846	5.9929	1.7681	5.0881		5.7095
H14	2.8648	3.0178	4.0514	2.1320	5.2001	1.0965	4.4393	2.5688	5.9929	1.7846	5.0881	1.7681	5.7095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.741	C1	N3	H7	115.723
C1	N4	C6	117.741	C1	N4	H8	115.723
O2	C1	N3	123.094	O2	C1	N4	123.094
N3	C1	N4	113.811	N3	C5	H9	109.247
N3	C5	H11	108.155	N3	C5	H13	112.868
N4	C6	H10	109.247	N4	C6	H12	108.155
N4	C6	H14	112.868	C5	N3	H7	116.280
C6	N4	H8	116.280	H9	C5	H11	109.220
H9	C5	H13	109.314	H10	C6	H12	109.220
H10	C6	H14	109.314	H11	C5	H13	107.970
H12	C6	H14	107.970

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	0.780
2	O	-0.545
3	N	-0.615
4	N	-0.615
5	C	-0.206
6	C	-0.206
7	H	0.278
8	H	0.278
9	H	0.124
10	H	0.124
11	H	0.170
12	H	0.170
13	H	0.131
14	H	0.131

	x	y	z
x	5.064	-0.396	0.000
y	-0.396	9.168	0.000
z	0.000	0.000	7.105

<r²>	190.630
(<r²>)^1/2	13.807

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-)