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	hartrees
Energy at 0K	-302.068080
Energy at 298.15K	-302.078439
HF Energy	-302.068080
Nuclear repulsion energy	250.009084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3879	3507	47.57
2	A	3311	2994	19.05
3	A	3261	2949	21.00
4	A	3192	2887	6.67
5	A	1923	1738	402.14
6	A	1663	1504	36.55
7	A	1625	1469	1.94
8	A	1614	1459	1.53
9	A	1585	1433	3.86
10	A	1311	1185	0.00
11	A	1270	1149	2.37
12	A	1243	1124	5.57
13	A	1001	905	3.09
14	A	550	497	40.40
15	A	411	372	74.93
16	A	237	215	5.99
17	A	203	183	0.00
18	A	121	109	0.10
19	B	3873	3502	11.49
20	B	3311	2994	12.32
21	B	3262	2949	66.25
22	B	3191	2885	121.93
23	B	1718	1553	528.20
24	B	1636	1479	0.83
25	B	1613	1459	43.23
26	B	1589	1437	7.43
27	B	1380	1248	250.27
28	B	1263	1142	18.64
29	B	1245	1126	9.43
30	B	1108	1002	5.31
31	B	861	778	43.42
32	B	783	708	20.78
33	B	508	459	142.36
34	B	341	309	47.52
35	B	135	122	0.62
36	B	127	115	12.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.092
O2	0.000	0.000	1.296
N3	0.000	1.151	-0.647
N4	0.000	-1.151	-0.647
C5	-0.190	2.426	0.017
C6	0.190	-2.426	0.017
H7	-0.343	1.082	-1.578
H8	0.343	-1.082	-1.578
H9	-0.009	3.215	-0.701
H10	0.009	-3.215	-0.701
H11	0.518	2.520	0.826
H12	-0.518	-2.520	0.826
H13	-1.191	2.535	0.424
H14	1.191	-2.535	0.424

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2045	1.3680	1.3680	2.4342	2.4342	2.0189	2.0189	3.3117	3.3117	2.6752	2.6752	2.8209	2.8209
O2	1.2045		2.2589	2.2589	2.7488	2.7488	3.0902	3.0902	3.7851	3.7851	2.6149	2.6149	2.9340	2.9340
N3	1.3680	2.2589		2.3024	1.4497	3.6430	0.9943	2.4435	2.0649	4.3670	2.0767	3.9894	2.1172	4.0197
N4	1.3680	2.2589	2.3024		3.6430	1.4497	2.4435	0.9943	4.3670	2.0649	3.9894	2.0767	4.0197	2.1172
C5	2.4342	2.7488	1.4497	3.6430		4.8661	2.0912	3.8899	1.0827	5.6900	1.0797	5.0217	1.0859	5.1658
C6	2.4342	2.7488	3.6430	1.4497	4.8661		3.8899	2.0912	5.6900	1.0827	5.0217	1.0797	5.1658	1.0859
H7	2.0189	3.0902	0.9943	2.4435	2.0912	3.8899		2.2701	2.3308	4.4000	2.9308	4.3338	2.6152	4.4098
H8	2.0189	3.0902	2.4435	0.9943	3.8899	2.0912	2.2701		4.4000	2.3308	4.3338	2.9308	4.4098	2.6152
H9	3.3117	3.7851	2.0649	4.3670	1.0827	5.6900	2.3308	4.4000		6.4308	1.7591	5.9567	1.7679	5.9814
H10	3.3117	3.7851	4.3670	2.0649	5.6900	1.0827	4.4000	2.3308	6.4308		5.9567	1.7591	5.9814	1.7679
H11	2.6752	2.6149	2.0767	3.9894	1.0797	5.0217	2.9308	4.3338	1.7591	5.9567		5.1447	1.7561	5.1155
H12	2.6752	2.6149	3.9894	2.0767	5.0217	1.0797	4.3338	2.9308	5.9567	1.7591	5.1447		5.1155	1.7561
H13	2.8209	2.9340	2.1172	4.0197	1.0859	5.1658	2.6152	4.4098	1.7679	5.9814	1.7561	5.1155		5.6026
H14	2.8209	2.9340	4.0197	2.1172	5.1658	1.0859	4.4098	2.6152	5.9814	1.7679	5.1155	1.7561	5.6026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.481	C1	N3	H7	116.547
C1	N4	C6	119.481	C1	N4	H8	116.547
O2	C1	N3	122.700	O2	C1	N4	122.700
N3	C1	N4	114.600	N3	C5	H9	108.380
N3	C5	H11	109.502	N3	C5	H13	112.438
N4	C6	H10	108.380	N4	C6	H12	109.502
N4	C6	H14	112.438	C5	N3	H7	116.416
C6	N4	H8	116.416	H9	C5	H11	108.874
H9	C5	H13	109.219	H10	C6	H12	108.874
H10	C6	H14	109.219	H11	C5	H13	108.373
H12	C6	H14	108.373

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

using model chemistry: HF/6-31+G**

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	0.638
2	O	-0.657
3	N	-0.564
4	N	-0.564
5	C	-0.144
6	C	-0.144
7	H	0.307
8	H	0.307
9	H	0.119
10	H	0.119
11	H	0.160
12	H	0.160
13	H	0.133
14	H	0.133

	x	y	z
x	5.792	-0.279	0.000
y	-0.279	8.672	0.000
z	0.000	0.000	7.393

<r²>	190.953
(<r²>)^1/2	13.819

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

using model chemistry: HF/6-31+G**

States and conformations

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