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	hartrees
Energy at 0K	-302.121811
Energy at 298.15K	-302.132381
Nuclear repulsion energy	256.140905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3935	3575	37.52
2	A	3819	3469	36.40
3	A	3322	3018	5.77
4	A	3267	2968	33.97
5	A	3219	2925	51.25
6	A	3212	2918	53.40
7	A	3160	2871	52.93
8	A	3146	2858	72.62
9	A	1925	1749	553.03
10	A	1780	1617	175.90
11	A	1652	1501	101.92
12	A	1633	1483	7.27
13	A	1625	1477	8.56
14	A	1620	1472	8.33
15	A	1609	1462	35.63
16	A	1568	1425	8.42
17	A	1546	1405	243.15
18	A	1413	1283	36.79
19	A	1378	1251	33.65
20	A	1265	1149	8.95
21	A	1222	1110	3.00
22	A	1202	1092	52.10
23	A	1170	1063	30.40
24	A	1110	1009	25.55
25	A	880	800	72.77
26	A	829	754	7.36
27	A	653	593	14.05
28	A	592	538	160.50
29	A	554	504	5.56
30	A	449	408	11.06
31	A	423	384	79.05
32	A	351	319	11.64
33	A	235	214	13.61
34	A	150	136	1.58
35	A	113	103	6.42
36	A	80	72	5.36

Atom	x (Å)	y (Å)	z (Å)
H1	-2.547	0.599	-0.066
O2	-1.170	-1.342	0.079
C3	-0.746	-0.226	-0.019
N4	0.583	0.061	-0.158
H5	-1.338	1.696	-0.439
N6	-1.591	0.858	0.028
H7	1.844	-1.170	1.011
H8	2.389	-0.850	-0.638
H9	1.046	-1.952	-0.347
C10	1.519	-1.041	-0.021
H11	0.704	2.120	-0.606
H12	2.173	1.374	-0.053
H13	0.900	1.735	1.105
C14	1.102	1.392	0.093

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3842	1.9812	3.1774	1.6745	0.9943	4.8545	5.1762	4.4159	4.3844	3.6288	4.7834	3.8134	3.7376
O2	2.3842		1.1978	2.2583	3.0862	2.2408	3.1596	3.6645	2.3383	2.7080	3.9955	4.3097	3.8482	3.5551
C3	1.9812	1.1978		1.3674	2.0542	1.3755	2.9428	3.2566	2.5101	2.4075	2.8195	3.3296	2.7966	2.4592
N4	3.1774	2.2583	1.3674		2.5378	2.3236	2.1144	2.0789	2.0743	1.4521	2.1101	2.0646	2.1209	1.4503
H5	1.6745	3.0862	2.0542	2.5378		0.9921	4.5205	4.5176	4.3588	3.9779	2.0913	3.5470	2.7190	2.5156
N6	0.9943	2.2408	1.3755	2.3236	0.9921		4.1084	4.3826	3.8726	3.6447	2.6945	3.8009	2.8524	2.7468
H7	4.8545	3.1596	2.9428	2.1144	4.5205	4.1084		1.7663	1.7580	1.0891	3.8386	2.7763	3.0558	2.8203
H8	5.1762	3.6645	3.2566	2.0789	4.5176	4.3826	1.7663		1.7617	1.0841	3.4146	2.3091	3.4550	2.6861
H9	4.4159	2.3383	2.5101	2.0743	4.3588	3.8726	1.7580	1.7617		1.0770	4.0943	3.5236	3.9653	3.3731
C10	4.3844	2.7080	2.4075	1.4521	3.9779	3.6447	1.0891	1.0841	1.0770		3.3160	2.5016	3.0587	2.4706
H11	3.6288	3.9955	2.8195	2.1101	2.0913	2.6945	3.8386	3.4146	4.0943	3.3160		1.7390	1.7647	1.0852
H12	4.7834	4.3097	3.3296	2.0646	3.5470	3.8009	2.7763	2.3091	3.5236	2.5016	1.7390		1.7584	1.0812
H13	3.8134	3.8482	2.7966	2.1209	2.7190	2.8524	3.0558	3.4550	3.9653	3.0587	1.7647	1.7584		1.0875
C14	3.7376	3.5551	2.4592	1.4503	2.5156	2.7468	2.8203	2.6861	3.3731	2.4706	1.0852	1.0812	1.0875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	112.442	H1	N6	H5	114.907
O2	C3	N4	123.242	O2	C3	N6	120.946
C3	N4	C10	117.233	C3	N4	C14	121.540
C3	N6	H5	119.481	N4	C3	N6	115.802
N4	C10	H7	111.825	N4	C10	H8	109.243
N4	C10	H9	109.305	N4	C14	H11	111.855
N4	C14	H12	108.407	N4	C14	H13	112.607
H7	C10	H8	108.725	H7	C10	H9	108.497
H8	C10	H9	109.207	C10	N4	C14	116.690
H11	C14	H12	106.776	H11	C14	H13	108.627
H12	C14	H13	108.347

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

using model chemistry: HF/6-311G**

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	0.235
2	O	-0.526
3	C	0.708
4	N	-0.559
5	H	0.216
6	N	-0.542
7	H	0.089
8	H	0.088
9	H	0.139
10	C	-0.076
11	H	0.083
12	H	0.103
13	H	0.107
14	C	-0.064

	x	y	z	Total
	1.694	3.628	-0.795	4.082
CHELPG
AIM
ESP

	x	y	z
x	7.696	0.050	0.006
y	0.050	7.530	-0.124
z	0.006	-0.124	5.161

<r²>	162.828
(<r²>)^1/2	12.760

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

using model chemistry: HF/6-311G**

States and conformations

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