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	hartrees
Energy at 0K	-300.992443
Energy at 298.15K	-301.002185
HF Energy	-300.360922
Nuclear repulsion energy	245.659861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3611	3454	24.39
2	A	3149	3012	1.54
3	A	3068	2934	0.00
4	A	3025	2894	1.66
5	A	1752	1676	160.64
6	A	1604	1534	30.58
7	A	1592	1522	0.00
8	A	1543	1476	24.38
9	A	1486	1422	54.70
10	A	1212	1159	6.34
11	A	1183	1131	0.00
12	A	1181	1129	1.17
13	A	929	889	7.67
14	A	507	485	2.07
15	A	246	235	0.85
16	A	214	205	0.00
17	A	170	162	0.00
18	A	33	32	0.00
19	B	3603	3446	7.12
20	B	3149	3012	0.05
21	B	3068	2935	97.12
22	B	3024	2893	115.09
23	B	1618	1547	102.50
24	B	1592	1523	11.55
25	B	1561	1493	309.33
26	B	1497	1432	7.17
27	B	1265	1210	367.87
28	B	1190	1138	3.51
29	B	1183	1132	49.31
30	B	1033	988	1.82
31	B	768	735	40.90
32	B	721	690	7.09
33	B	480	459	334.12
34	B	385	368	35.98
35	B	138	132	7.19
36	B	104	99	13.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.093
O2	0.000	0.000	1.340
N3	0.000	1.163	-0.661
N4	0.000	-1.163	-0.661
C5	0.000	2.475	0.011
C6	-0.000	-2.475	0.011
H7	0.001	1.126	-1.672
H8	-0.001	-1.126	-1.672
H9	0.896	3.059	-0.245
H10	-0.896	-3.059	-0.245
H11	-0.001	2.266	1.085
H12	0.001	-2.266	1.085
H13	-0.896	3.060	-0.246
H14	0.896	-3.060	-0.246

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2469	1.3866	1.3866	2.4768	2.4768	2.0934	2.0934	3.2057	3.2057	2.4738	2.4738	3.2061	3.2061
O2	1.2469		2.3149	2.3149	2.8098	2.8098	3.2154	3.2154	3.5603	3.5603	2.2806	2.2806	3.5611	3.5611
N3	1.3866	2.3149		2.3269	1.4740	3.7003	1.0115	2.5022	2.1378	4.3367	2.0653	3.8486	2.1377	4.3369
N4	1.3866	2.3149	2.3269		3.7003	1.4740	2.5022	1.0115	4.3367	2.1378	3.8486	2.0653	4.3369	2.1377
C5	2.4768	2.8098	1.4740	3.7003		4.9508	2.1572	3.9747	1.0999	5.6126	1.0945	4.8619	1.0999	5.6130
C6	2.4768	2.8098	3.7003	1.4740	4.9508		3.9747	2.1572	5.6126	1.0999	4.8619	1.0945	5.6130	1.0999
H7	2.0934	3.2154	1.0115	2.5022	2.1572	3.9747		2.2511	2.5643	4.5113	2.9836	4.3709	2.5645	4.5109
H8	2.0934	3.2154	2.5022	1.0115	3.9747	2.1572	2.2511		4.5113	2.5643	4.3709	2.9836	4.5109	2.5645
H9	3.2057	3.5603	2.1378	4.3367	1.0999	5.6126	2.5643	4.5113		6.3756	1.7898	5.5617	1.7919	6.1189
H10	3.2057	3.5603	4.3367	2.1378	5.6126	1.0999	4.5113	2.5643	6.3756		5.5617	1.7898	6.1189	1.7919
H11	2.4738	2.2806	2.0653	3.8486	1.0945	4.8619	2.9836	4.3709	1.7898	5.5617		4.5325	1.7898	5.5626
H12	2.4738	2.2806	3.8486	2.0653	4.8619	1.0945	4.3709	2.9836	5.5617	1.7898	4.5325		5.5626	1.7898
H13	3.2061	3.5611	2.1377	4.3369	1.0999	5.6130	2.5645	4.5109	1.7919	6.1189	1.7898	5.5626		6.3762
H14	3.2061	3.5611	4.3369	2.1377	5.6130	1.0999	4.5109	2.5645	6.1189	1.7919	5.5626	1.7898	6.3762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.926	C1	N3	H7	120.810
C1	N4	C6	119.926	C1	N4	H8	120.810
O2	C1	N3	122.958	O2	C1	N4	122.958
N3	C1	N4	114.084	N3	C5	H9	111.489
N3	C5	H11	106.101	N3	C5	H13	111.485
N4	C6	H10	111.489	N4	C6	H12	106.101
N4	C6	H14	111.485	C5	N3	H7	119.265
C6	N4	H8	119.265	H9	C5	H11	109.300
H9	C5	H13	109.092	H10	C6	H12	109.300
H10	C6	H14	109.092	H11	C5	H13	109.303
H12	C6	H14	109.303

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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