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	hartrees
Energy at 0K	-56.068913
Energy at 298.15K	-56.078946
HF Energy	-56.068913
Nuclear repulsion energy	138.114460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3878	3539	29.71
2	A	3306	3016	17.84
3	A	3244	2961	20.89
4	A	3162	2885	0.82
5	A	1792	1635	250.47
6	A	1668	1522	80.73
7	A	1637	1493	16.59
8	A	1622	1480	29.03
9	A	1582	1444	48.80
10	A	1300	1186	1.03
11	A	1265	1154	24.86
12	A	1253	1143	0.35
13	A	975	889	6.23
14	A	521	476	4.67
15	A	344	314	16.58
16	A	241	220	3.31
17	A	196	179	0.24
18	A	45	41	0.43
19	B	3871	3532	8.92
20	B	3306	3016	10.81
21	B	3245	2961	105.23
22	B	3161	2884	159.08
23	B	1706	1557	513.14
24	B	1652	1508	16.27
25	B	1628	1485	63.19
26	B	1593	1454	9.39
27	B	1398	1275	292.19
28	B	1272	1160	0.29
29	B	1256	1146	20.53
30	B	1094	998	3.64
31	B	824	751	71.47
32	B	746	680	7.67
33	B	552	504	296.84
34	B	362	330	29.70
35	B	130	119	16.54
36	B	45	41	1.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.083
O2	0.000	0.000	1.331
N3	0.000	1.167	-0.647
N4	0.000	-1.167	-0.647
C5	-0.049	2.476	0.010
C6	0.049	-2.476	0.010
H7	-0.107	1.127	-1.634
H8	0.107	-1.127	-1.634
H9	0.409	3.213	-0.639
H10	-0.409	-3.213	-0.639
H11	0.503	2.429	0.938
H12	-0.503	-2.429	0.938
H13	-1.068	2.779	0.233
H14	1.068	-2.779	0.233

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2480	1.3766	1.3766	2.4773	2.4773	2.0566	2.0566	3.3189	3.3189	2.6232	2.6232	2.9811	2.9811
O2	1.2480		2.2969	2.2969	2.8064	2.8064	3.1737	3.1737	3.7915	3.7915	2.5111	2.5111	3.1734	3.1734
N3	1.3766	2.2969		2.3336	1.4657	3.7017	0.9931	2.4992	2.0870	4.3992	2.0874	3.9614	2.1249	4.1817
N4	1.3766	2.2969	2.3336		3.7017	1.4657	2.4992	0.9931	4.3992	2.0870	3.9614	2.0874	4.1817	2.1249
C5	2.4773	2.8064	1.4657	3.7017		4.9524	2.1273	3.9632	1.0842	5.7374	1.0800	5.0119	1.0865	5.3769
C6	2.4773	2.8064	3.7017	1.4657	4.9524		3.9632	2.1273	5.7374	1.0842	5.0119	1.0800	5.3769	1.0865
H7	2.0566	3.1737	0.9931	2.4992	2.1273	3.9632		2.2643	2.3681	4.4630	2.9460	4.4059	2.6715	4.4861
H8	2.0566	3.1737	2.4992	0.9931	3.9632	2.1273	2.2643		4.4630	2.3681	4.4059	2.9460	4.4861	2.6715
H9	3.3189	3.7915	2.0870	4.3992	1.0842	5.7374	2.3681	4.4630		6.4785	1.7641	5.9288	1.7692	6.0915
H10	3.3189	3.7915	4.3992	2.0870	5.7374	1.0842	4.4630	2.3681	6.4785		5.9288	1.7641	6.0915	1.7692
H11	2.6232	2.5111	2.0874	3.9614	1.0800	5.0119	2.9460	4.4059	1.7641	5.9288		4.9603	1.7568	5.2857
H12	2.6232	2.5111	3.9614	2.0874	5.0119	1.0800	4.4059	2.9460	5.9288	1.7641	4.9603		5.2857	1.7568
H13	2.9811	3.1734	2.1249	4.1817	1.0865	5.3769	2.6715	4.4861	1.7692	6.0915	1.7568	5.2857		5.9547
H14	2.9811	3.1734	4.1817	2.1249	5.3769	1.0865	4.4861	2.6715	6.0915	1.7692	5.2857	1.7568	5.9547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	121.253	C1	N3	H7	119.548
C1	N4	C6	121.253	C1	N4	H8	119.548
O2	C1	N3	122.049	O2	C1	N4	122.049
N3	C1	N4	115.901	N3	C5	H9	108.944
N3	C5	H11	109.235	N3	C5	H13	111.878
N4	C6	H10	108.944	N4	C6	H12	109.235
N4	C6	H14	111.878	C5	N3	H7	118.548
C6	N4	H8	118.548	H9	C5	H11	109.199
H9	C5	H13	109.179	H10	C6	H12	109.199
H10	C6	H14	109.179	H11	C5	H13	108.369
H12	C6	H14	108.369

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

using model chemistry: HF/CEP-121G

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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Number	Element	Mulliken
1	C	0.293
2	O	-0.405
3	N	-0.485
4	N	-0.485
5	C	-0.289
6	C	-0.289
7	H	0.323
8	H	0.323
9	H	0.143
10	H	0.143
11	H	0.204
12	H	0.204
13	H	0.160
14	H	0.160

	x	y	z
x	5.196	-0.177	0.000
y	-0.177	8.153	0.000
z	0.000	0.000	6.971

<r²>	161.129
(<r²>)^1/2	12.694

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

using model chemistry: HF/CEP-121G

States and conformations

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