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	hartrees
Energy at 0K	-303.633116
Energy at 298.15K	-303.643174
HF Energy	-303.302941
Nuclear repulsion energy	247.393990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3621	3482	23.42
2	A	3179	3057	11.67
3	A	3135	3015	8.36
4	A	3051	2934	5.87
5	A	1739	1672	258.37
6	A	1521	1463	18.06
7	A	1484	1427	0.68
8	A	1471	1415	2.84
9	A	1440	1385	7.71
10	A	1202	1156	0.13
11	A	1177	1132	2.08
12	A	1138	1095	6.37
13	A	921	885	1.58
14	A	528	508	53.05
15	A	409	394	52.83
16	A	221	213	4.74
17	A	187	180	0.09
18	A	109	105	0.40
19	B	3617	3479	8.35
20	B	3179	3057	5.35
21	B	3135	3015	44.14
22	B	3050	2933	110.78
23	B	1565	1505	370.27
24	B	1500	1442	1.87
25	B	1476	1419	53.44
26	B	1444	1388	7.27
27	B	1267	1218	210.74
28	B	1155	1111	24.39
29	B	1141	1097	4.54
30	B	1047	1007	1.43
31	B	761	732	14.89
32	B	725	697	22.17
33	B	474	456	104.69
34	B	315	303	42.72
35	B	125	120	4.24
36	B	121	116	6.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.088
O2	0.000	0.000	1.318
N3	0.000	1.164	-0.665
N4	0.000	-1.164	-0.665
C5	-0.229	2.431	0.020
C6	0.229	-2.431	0.020
H7	-0.392	1.085	-1.594
H8	0.392	-1.085	-1.594
H9	-0.035	3.249	-0.683
H10	0.035	-3.249	-0.683
H11	0.466	2.510	0.862
H12	-0.466	-2.510	0.862
H13	-1.254	2.522	0.412
H14	1.254	-2.522	0.412

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2305	1.3864	1.3864	2.4431	2.4431	2.0393	2.0393	3.3390	3.3390	2.6679	2.6679	2.8347	2.8347
O2	1.2305		2.2996	2.2996	2.7655	2.7655	3.1322	3.1322	3.8157	3.8157	2.5937	2.5937	2.9582	2.9582
N3	1.3864	2.2996		2.3289	1.4585	3.6677	1.0112	2.4654	2.0846	4.4134	2.0876	4.0064	2.1386	4.0397
N4	1.3864	2.2996	2.3289		3.6677	1.4585	2.4654	1.0112	4.4134	2.0846	4.0064	2.0876	4.0397	2.1386
C5	2.4431	2.7655	1.4585	3.6677		4.8843	2.1080	3.9191	1.0956	5.7296	1.0939	5.0184	1.1003	5.1851
C6	2.4431	2.7655	3.6677	1.4585	4.8843		3.9191	2.1080	5.7296	1.0956	5.0184	1.0939	5.1851	1.1003
H7	2.0393	3.1322	1.0112	2.4654	2.1080	3.9191		2.3078	2.3742	4.4493	2.9655	4.3548	2.6135	4.4432
H8	2.0393	3.1322	2.4654	1.0112	3.9191	2.1080	2.3078		4.4493	2.3742	4.3548	2.9655	4.4432	2.6135
H9	3.3390	3.8157	2.0846	4.4134	1.0956	5.7296	2.3742	4.4493		6.4978	1.7835	5.9781	1.7924	6.0131
H10	3.3390	3.8157	4.4134	2.0846	5.7296	1.0956	4.4493	2.3742	6.4978		5.9781	1.7835	6.0131	1.7924
H11	2.6679	2.5937	2.0876	4.0064	1.0939	5.0184	2.9655	4.3548	1.7835	5.9781		5.1064	1.7769	5.1132
H12	2.6679	2.5937	4.0064	2.0876	5.0184	1.0939	4.3548	2.9655	5.9781	1.7835	5.1064		5.1132	1.7769
H13	2.8347	2.9582	2.1386	4.0397	1.1003	5.1851	2.6135	4.4432	1.7924	6.0131	1.7769	5.1132		5.6321
H14	2.8347	2.9582	4.0397	2.1386	5.1851	1.1003	4.4432	2.6135	6.0131	1.7924	5.1132	1.7769	5.6321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	118.330	C1	N3	H7	115.655
C1	N4	C6	118.330	C1	N4	H8	115.655
O2	C1	N3	122.871	O2	C1	N4	122.871
N3	C1	N4	114.258	N3	C5	H9	108.576
N3	C5	H11	108.916	N3	C5	H13	112.639
N4	C6	H10	108.576	N4	C6	H12	108.916
N4	C6	H14	112.639	C5	N3	H7	116.020
C6	N4	H8	116.020	H9	C5	H11	109.090
H9	C5	H13	109.415	H10	C6	H12	109.090
H10	C6	H14	109.415	H11	C5	H13	108.151
H12	C6	H14	108.151

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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