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	hartrees
Energy at 0K	-300.896267
Energy at 298.15K	-300.906391
HF Energy	-300.363489
Nuclear repulsion energy	247.142896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3721	3466	34.93
2	A	3247	3025	0.71
3	A	3168	2951	0.00
4	A	3124	2910	2.08
5	A	1797	1674	177.34
6	A	1647	1534	34.45
7	A	1634	1522	0.01
8	A	1588	1480	24.42
9	A	1532	1427	57.18
10	A	1248	1163	7.80
11	A	1220	1136	0.00
12	A	1216	1133	1.91
13	A	956	891	8.08
14	A	521	485	1.93
15	A	282	263	0.02
16	A	251	234	1.16
17	A	185	173	0.00
18	A	94	88	0.00
19	B	3711	3458	6.61
20	B	3247	3025	0.10
21	B	3168	2951	98.16
22	B	3121	2908	113.83
23	B	1663	1549	139.98
24	B	1635	1523	14.13
25	B	1606	1496	312.39
26	B	1543	1438	8.83
27	B	1306	1216	371.92
28	B	1225	1141	4.46
29	B	1219	1136	46.13
30	B	1061	988	2.72
31	B	808	752	68.58
32	B	742	691	5.10
33	B	533	497	335.51
34	B	391	365	37.64
35	B	137	128	10.85
36	B	111	104	6.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.093
O2	0.000	0.000	1.332
N3	0.000	1.156	-0.654
N4	0.000	-1.156	-0.654
C5	0.002	2.464	0.010
C6	-0.002	-2.464	0.010
H7	-0.004	1.119	-1.658
H8	0.004	-1.119	-1.658
H9	0.888	3.043	-0.256
H10	-0.888	-3.043	-0.256
H11	0.008	2.266	1.078
H12	-0.008	-2.266	1.078
H13	-0.890	3.040	-0.244
H14	0.890	-3.040	-0.244

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2389	1.3768	1.3768	2.4651	2.4651	2.0773	2.0773	3.1889	3.1889	2.4706	2.4706	3.1854	3.1854
O2	1.2389		2.2982	2.2982	2.7959	2.7959	3.1918	3.1918	3.5450	3.5450	2.2798	2.2798	3.5378	3.5378
N3	1.3768	2.2982		2.3130	1.4662	3.6806	1.0042	2.4865	2.1227	4.3107	2.0569	3.8356	2.1232	4.3093
N4	1.3768	2.2982	2.3130		3.6806	1.4662	2.4865	1.0042	4.3107	2.1227	3.8356	2.0569	4.3093	2.1232
C5	2.4651	2.7959	1.4662	3.6806		4.9274	2.1425	3.9513	1.0917	5.5842	1.0865	4.8485	1.0917	5.5806
C6	2.4651	2.7959	3.6806	1.4662	4.9274		3.9513	2.1425	5.5842	1.0917	4.8485	1.0865	5.5806	1.0917
H7	2.0773	3.1918	1.0042	2.4865	2.1425	3.9513		2.2370	2.5426	4.4793	2.9665	4.3516	2.5446	4.4822
H8	2.0773	3.1918	2.4865	1.0042	3.9513	2.1425	2.2370		4.4793	2.5426	4.3516	2.9665	4.4822	2.5446
H9	3.1889	3.5450	2.1227	4.3107	1.0917	5.5842	2.5426	4.4793		6.3396	1.7766	5.5464	1.7785	6.0826
H10	3.1889	3.5450	4.3107	2.1227	5.5842	1.0917	4.4793	2.5426	6.3396		5.5464	1.7766	6.0826	1.7785
H11	2.4706	2.2798	2.0569	3.8356	1.0865	4.8485	2.9665	4.3516	1.7766	5.5464		4.5312	1.7763	5.5383
H12	2.4706	2.2798	3.8356	2.0569	4.8485	1.0865	4.3516	2.9665	5.5464	1.7766	4.5312		5.5383	1.7763
H13	3.1854	3.5378	2.1232	4.3093	1.0917	5.5806	2.5446	4.4822	1.7785	6.0826	1.7763	5.5383		6.3350
H14	3.1854	3.5378	4.3093	2.1232	5.5806	1.0917	4.4822	2.5446	6.0826	1.7785	5.5383	1.7763	6.3350

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	120.210	C1	N3	H7	120.692
C1	N4	C6	120.210	C1	N4	H8	120.692
O2	C1	N3	122.860	O2	C1	N4	122.860
N3	C1	N4	114.280	N3	C5	H9	111.329
N3	C5	H11	106.425	N3	C5	H13	111.362
N4	C6	H10	111.329	N4	C6	H12	106.425
N4	C6	H14	111.362	C5	N3	H7	119.098
C6	N4	H8	119.098	H9	C5	H11	109.306
H9	C5	H13	109.085	H10	C6	H12	109.306
H10	C6	H14	109.085	H11	C5	H13	109.273
H12	C6	H14	109.273

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

using model chemistry: CID/3-21G

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

using model chemistry: CID/3-21G

States and conformations

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