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	hartrees
Energy at 0K	-303.069626
Energy at 298.15K	-303.080054
HF Energy	-302.062295
Nuclear repulsion energy	254.403775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3812	3551	32.92
2	A	3694	3442	28.73
3	A	3277	3053	3.04
4	A	3236	3014	21.08
5	A	3200	2981	17.51
6	A	3200	2981	44.12
7	A	3114	2901	54.87
8	A	3108	2895	50.59
9	A	1826	1702	502.62
10	A	1693	1577	164.76
11	A	1582	1474	82.80
12	A	1560	1453	17.63
13	A	1555	1449	13.04
14	A	1553	1447	1.92
15	A	1537	1432	36.24
16	A	1498	1396	6.52
17	A	1481	1380	215.24
18	A	1340	1248	27.77
19	A	1309	1219	25.43
20	A	1207	1124	17.47
21	A	1161	1082	5.32
22	A	1143	1065	55.80
23	A	1115	1039	16.96
24	A	1061	989	19.13
25	A	804	749	2.92
26	A	803	748	66.45
27	A	630	587	117.64
28	A	604	563	86.44
29	A	522	487	4.51
30	A	444	413	17.74
31	A	411	383	30.62
32	A	335	312	9.26
33	A	229	213	20.96
34	A	158	147	1.66
35	A	132	123	1.85
36	A	73	68	8.63

Atom	x (Å)	y (Å)	z (Å)
H1	-2.550	0.637	-0.073
O2	-1.192	-1.366	0.078
C3	-0.750	-0.229	-0.024
N4	0.590	0.057	-0.149
H5	-1.310	1.725	-0.447
N6	-1.581	0.883	0.030
H7	1.863	-1.179	1.010
H8	2.395	-0.854	-0.651
H9	1.043	-1.958	-0.349
C10	1.529	-1.047	-0.022
H11	0.770	2.100	-0.675
H12	2.184	1.363	0.049
H13	0.803	1.782	1.069
C14	1.100	1.398	0.092

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.4245	1.9987	3.1942	1.6912	1.0053	4.8934	5.1971	4.4410	4.4132	3.6779	4.7910	3.7228	3.7321
O2	2.4245		1.2241	2.2921	3.1371	2.2830	3.1996	3.6963	2.3517	2.7415	4.0535	4.3417	3.8566	3.5909
C3	1.9987	1.2241		1.3756	2.0763	1.3899	2.9659	3.2666	2.5116	2.4207	2.8563	3.3389	2.7662	2.4663
N4	3.1942	2.2921	1.3756		2.5457	2.3297	2.1194	2.0829	2.0751	1.4549	2.1171	2.0704	2.1224	1.4548
H5	1.6912	3.1371	2.0763	2.5457		1.0043	4.5412	4.5186	4.3717	3.9905	2.1263	3.5475	2.6014	2.4910
N6	1.0053	2.2830	1.3899	2.3297	1.0043		4.1320	4.3918	3.8862	3.6605	2.7395	3.7953	2.7515	2.7305
H7	4.8934	3.1996	2.9659	2.1194	4.5412	4.1320		1.7742	1.7676	1.0927	3.8452	2.7372	3.1455	2.8405
H8	5.1971	3.6963	3.2666	2.0829	4.5186	4.3918	1.7742		1.7716	1.0879	3.3709	2.3346	3.5267	2.7016
H9	4.4410	2.3517	2.5116	2.0751	4.3717	3.8862	1.7676	1.7716		1.0827	4.0802	3.5346	4.0069	3.3855
C10	4.4132	2.7415	2.4207	1.4549	3.9905	3.6605	1.0927	1.0879	1.0827		3.3025	2.4993	3.1178	2.4853
H11	3.6779	4.0535	2.8563	2.1171	2.1263	2.7395	3.8452	3.3709	4.0802	3.3025		1.7508	1.7732	1.0904
H12	4.7910	4.3417	3.3389	2.0704	3.5475	3.7953	2.7372	2.3346	3.5346	2.4993	1.7508		1.7667	1.0854
H13	3.7228	3.8566	2.7662	2.1224	2.6014	2.7515	3.1455	3.5267	4.0069	3.1178	1.7732	1.7667		1.0911
C14	3.7321	3.5909	2.4663	1.4548	2.4910	2.7305	2.8405	2.7016	3.3855	2.4853	1.0904	1.0854	1.0911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	112.120	H1	N6	H5	114.612
O2	C3	N4	123.584	O2	C3	N6	121.578
C3	N4	C10	117.540	C3	N4	C14	121.212
C3	N6	H5	119.400	N4	C3	N6	114.793
N4	C10	H7	111.808	N4	C10	H8	109.148
N4	C10	H9	108.834	N4	C14	H11	111.769
N4	C14	H12	108.312	N4	C14	H13	112.159
H7	C10	H8	108.912	H7	C10	H9	108.695
H8	C10	H9	109.414	C10	N4	C14	117.330
H11	C14	H12	107.151	H11	C14	H13	108.746
H12	C14	H13	108.531

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

using model chemistry: MP3=FULL/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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All results from a given calculation for N(CH3)2CONH2 (Urea, N,N-dimethyl-)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

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