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	hartrees
Energy at 0K	-302.796645
Energy at 298.15K	-302.806987
HF Energy	-302.041919
Nuclear repulsion energy	249.667231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3764	3477	32.38
2	A	3304	3052	11.81
3	A	3253	3004	13.54
4	A	3174	2932	4.45
5	A	1914	1768	288.74
6	A	1625	1501	20.56
7	A	1594	1472	0.31
8	A	1583	1463	5.08
9	A	1551	1433	3.17
10	A	1281	1183	0.27
11	A	1254	1158	2.23
12	A	1214	1121	6.39
13	A	985	910	1.16
14	A	572	528	95.05
15	A	457	422	58.49
16	A	236	218	4.25
17	A	206	190	0.04
18	A	117	108	0.22
19	B	3760	3474	13.36
20	B	3304	3052	8.59
21	B	3253	3005	52.51
22	B	3173	2931	94.76
23	B	1678	1550	466.67
24	B	1609	1486	3.87
25	B	1589	1468	53.56
26	B	1555	1436	7.77
27	B	1358	1254	205.90
28	B	1232	1138	13.69
29	B	1215	1122	15.68
30	B	1112	1027	2.20
31	B	818	755	55.34
32	B	774	715	25.10
33	B	524	484	126.22
34	B	337	311	47.04
35	B	129	119	9.51
36	B	128	118	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.091
O2	0.000	0.000	1.304
N3	0.000	1.152	-0.660
N4	0.000	-1.152	-0.660
C5	-0.221	2.412	0.020
C6	0.221	-2.412	0.020
H7	-0.412	1.072	-1.571
H8	0.412	-1.072	-1.571
H9	-0.029	3.221	-0.679
H10	0.029	-3.221	-0.679
H11	0.471	2.491	0.849
H12	-0.471	-2.491	0.849
H13	-1.234	2.508	0.410
H14	1.234	-2.508	0.410

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2128	1.3748	1.3748	2.4232	2.4232	2.0203	2.0203	3.3115	3.3115	2.6458	2.6458	2.8134	2.8134
O2	1.2128		2.2763	2.2763	2.7415	2.7415	3.0959	3.0959	3.7822	3.7822	2.5752	2.5752	2.9346	2.9346
N3	1.3748	2.2763		2.3035	1.4487	3.6347	1.0035	2.4382	2.0691	4.3725	2.0715	3.9706	2.1231	4.0078
N4	1.3748	2.2763	2.3035		3.6347	1.4487	2.4382	1.0035	4.3725	2.0691	3.9706	2.0715	4.0078	2.1231
C5	2.4232	2.7415	1.4487	3.6347		4.8444	2.0890	3.8820	1.0859	5.6813	1.0830	4.9787	1.0898	5.1457
C6	2.4232	2.7415	3.6347	1.4487	4.8444		3.8820	2.0890	5.6813	1.0859	4.9787	1.0830	5.1457	1.0898
H7	2.0203	3.0959	1.0035	2.4382	2.0890	3.8820		2.2964	2.3579	4.4062	2.9412	4.3074	2.5819	4.4104
H8	2.0203	3.0959	2.4382	1.0035	3.8820	2.0890	2.2964		4.4062	2.3579	4.3074	2.9412	4.4104	2.5819
H9	3.3115	3.7822	2.0691	4.3725	1.0859	5.6813	2.3579	4.4062		6.4414	1.7658	5.9287	1.7741	5.9665
H10	3.3115	3.7822	4.3725	2.0691	5.6813	1.0859	4.4062	2.3579	6.4414		5.9287	1.7658	5.9665	1.7741
H11	2.6458	2.5752	2.0715	3.9706	1.0830	4.9787	2.9412	4.3074	1.7658	5.9287		5.0696	1.7604	5.0757
H12	2.6458	2.5752	3.9706	2.0715	4.9787	1.0830	4.3074	2.9412	5.9287	1.7658	5.0696		5.0757	1.7604
H13	2.8134	2.9346	2.1231	4.0078	1.0898	5.1457	2.5819	4.4104	1.7741	5.9665	1.7604	5.0757		5.5905
H14	2.8134	2.9346	4.0078	2.1231	5.1457	1.0898	4.4104	2.5819	5.9665	1.7741	5.0757	1.7604	5.5905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	118.213	C1	N3	H7	115.425
C1	N4	C6	118.213	C1	N4	H8	115.425
O2	C1	N3	123.094	O2	C1	N4	123.094
N3	C1	N4	113.813	N3	C5	H9	108.591
N3	C5	H11	108.954	N3	C5	H13	112.744
N4	C6	H10	108.591	N4	C6	H12	108.954
N4	C6	H14	112.744	C5	N3	H7	115.640
C6	N4	H8	115.640	H9	C5	H11	109.002
H9	C5	H13	109.258	H10	C6	H12	109.002
H10	C6	H14	109.258	H11	C5	H13	108.232
H12	C6	H14	108.232

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

using model chemistry: CID/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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All results from a given calculation for NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: CID/6-31G*

States and conformations

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