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	hartrees
Energy at 0K	-302.125992
Energy at 298.15K	-302.136451
HF Energy	-302.125992
Nuclear repulsion energy	250.261618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3852	3500	35.14
2	A	3291	2990	21.20
3	A	3235	2939	21.21
4	A	3166	2876	6.21
5	A	1938	1761	367.72
6	A	1661	1509	33.67
7	A	1621	1472	1.01
8	A	1610	1463	0.95
9	A	1577	1433	3.62
10	A	1306	1187	0.10
11	A	1266	1150	1.84
12	A	1240	1127	7.20
13	A	1000	908	1.95
14	A	563	511	67.63
15	A	449	408	64.63
16	A	241	219	4.44
17	A	209	190	0.03
18	A	121	110	0.30
19	B	3847	3495	10.96
20	B	3291	2990	12.77
21	B	3235	2939	81.52
22	B	3165	2875	128.32
23	B	1714	1557	470.54
24	B	1631	1482	2.14
25	B	1609	1462	46.73
26	B	1582	1437	6.76
27	B	1372	1247	281.36
28	B	1259	1144	23.50
29	B	1243	1130	10.94
30	B	1107	1005	4.13
31	B	866	786	51.21
32	B	791	719	20.43
33	B	529	481	119.80
34	B	347	315	45.81
35	B	133	121	0.35
36	B	129	117	9.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.100
O2	0.000	0.000	1.296
N3	0.000	1.149	-0.648
N4	0.000	-1.149	-0.648
C5	-0.219	2.421	0.012
C6	0.219	-2.421	0.012
H7	-0.376	1.065	-1.564
H8	0.376	-1.065	-1.564
H9	0.006	3.217	-0.688
H10	-0.006	-3.217	-0.688
H11	0.447	2.503	0.858
H12	-0.447	-2.503	0.858
H13	-1.239	2.538	0.369
H14	1.239	-2.538	0.369

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.1956	1.3707	1.3707	2.4323	2.4323	2.0115	2.0115	3.3118	3.3118	2.6533	2.6533	2.8366	2.8366
O2	1.1956		2.2576	2.2576	2.7488	2.7488	3.0749	3.0749	3.7791	3.7791	2.5800	2.5800	2.9721	2.9721
N3	1.3707	2.2576		2.2975	1.4496	3.6367	0.9940	2.4256	2.0684	4.3657	2.0742	3.9754	2.1206	4.0196
N4	1.3707	2.2576	2.2975		3.6367	1.4496	2.4256	0.9940	4.3657	2.0684	3.9754	2.0742	4.0196	2.1206
C5	2.4323	2.7488	1.4496	3.6367		4.8614	2.0849	3.8720	1.0834	5.6849	1.0797	5.0013	1.0871	5.1805
C6	2.4323	2.7488	3.6367	1.4496	4.8614		3.8720	2.0849	5.6849	1.0834	5.0013	1.0797	5.1805	1.0871
H7	2.0115	3.0749	0.9940	2.4256	2.0849	3.8720		2.2595	2.3541	4.3866	2.9347	4.3137	2.5784	4.3960
H8	2.0115	3.0749	2.4256	0.9940	3.8720	2.0849	2.2595		4.3866	2.3541	4.3137	2.9347	4.3960	2.5784
H9	3.3118	3.7791	2.0684	4.3657	1.0834	5.6849	2.3541	4.3866		6.4335	1.7592	5.9424	1.7681	5.9791
H10	3.3118	3.7791	4.3657	2.0684	5.6849	1.0834	4.3866	2.3541	6.4335		5.9424	1.7592	5.9791	1.7681
H11	2.6533	2.5800	2.0742	3.9754	1.0797	5.0013	2.9347	4.3137	1.7592	5.9424		5.0853	1.7559	5.1259
H12	2.6533	2.5800	3.9754	2.0742	5.0013	1.0797	4.3137	2.9347	5.9424	1.7592	5.0853		5.1259	1.7559
H13	2.8366	2.9721	2.1206	4.0196	1.0871	5.1805	2.5784	4.3960	1.7681	5.9791	1.7559	5.1259		5.6478
H14	2.8366	2.9721	4.0196	2.1206	5.1805	1.0871	4.3960	2.5784	5.9791	1.7681	5.1259	1.7559	5.6478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.149	C1	N3	H7	115.641
C1	N4	C6	119.149	C1	N4	H8	115.641
O2	C1	N3	123.063	O2	C1	N4	123.063
N3	C1	N4	113.874	N3	C5	H9	108.626
N3	C5	H11	109.305	N3	C5	H13	112.648
N4	C6	H10	108.626	N4	C6	H12	109.305
N4	C6	H14	112.648	C5	N3	H7	115.866
C6	N4	H8	115.866	H9	C5	H11	108.832
H9	C5	H13	109.100	H10	C6	H12	108.832
H10	C6	H14	109.100	H11	C5	H13	108.265
H12	C6	H14	108.265

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

using model chemistry: HF/6-311G**

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	0.733
2	O	-0.528
3	N	-0.543
4	N	-0.543
5	C	-0.071
6	C	-0.071
7	H	0.212
8	H	0.212
9	H	0.086
10	H	0.086
11	H	0.121
12	H	0.121
13	H	0.092
14	H	0.092

	x	y	z
x	5.224	-0.329	0.000
y	-0.329	8.367	0.000
z	0.000	0.000	6.899

<r²>	190.344
(<r²>)^1/2	13.797

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

using model chemistry: HF/6-311G**

States and conformations

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