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	hartrees
Energy at 0K	-302.122353
Energy at 298.15K	-302.132606
HF Energy	-302.122353
Nuclear repulsion energy	247.439950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3658	3658	30.16
2	A	3190	3190	0.02
3	A	3112	3112	0.00
4	A	3060	3060	1.70
5	A	1774	1774	147.36
6	A	1594	1594	50.58
7	A	1580	1580	0.00
8	A	1541	1541	5.16
9	A	1495	1495	53.69
10	A	1216	1216	11.19
11	A	1211	1211	2.53
12	A	1179	1179	0.00
13	A	946	946	7.37
14	A	520	520	1.34
15	A	326	326	0.00
16	A	268	268	1.17
17	A	184	184	0.00
18	A	118	118	0.00
19	B	3651	3651	7.45
20	B	3190	3190	0.12
21	B	3113	3113	87.72
22	B	3058	3058	129.35
23	B	1618	1618	215.04
24	B	1581	1581	22.28
25	B	1553	1553	259.54
26	B	1503	1503	2.20
27	B	1284	1284	274.29
28	B	1189	1189	77.57
29	B	1185	1185	1.43
30	B	1067	1067	1.25
31	B	797	797	60.71
32	B	726	726	8.53
33	B	553	553	311.91
34	B	406	406	35.31
35	B	151	151	8.00
36	B	113	113	6.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.088
O2	0.000	0.000	1.330
N3	0.000	1.158	-0.658
N4	0.000	-1.158	-0.658
C5	0.002	2.452	0.013
C6	-0.002	-2.452	0.013
H7	-0.000	1.128	-1.666
H8	0.000	-1.128	-1.666
H9	0.895	3.034	-0.238
H10	-0.895	-3.034	-0.238
H11	0.002	2.237	1.083
H12	-0.002	-2.237	1.083
H13	-0.891	3.036	-0.237
H14	0.891	-3.036	-0.237

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2418	1.3773	1.3773	2.4528	2.4528	2.0860	2.0860	3.1801	3.1801	2.4480	2.4480	3.1804	3.1804
O2	1.2418		2.3006	2.3006	2.7829	2.7829	3.2017	3.2017	3.5306	3.5306	2.2502	2.2502	3.5304	3.5304
N3	1.3773	2.3006		2.3150	1.4579	3.6710	1.0085	2.4983	2.1212	4.3066	2.0487	3.8148	2.1211	4.3076
N4	1.3773	2.3006	2.3150		3.6710	1.4579	2.4983	1.0085	4.3066	2.1212	3.8148	2.0487	4.3076	2.1211
C5	2.4528	2.7829	1.4579	3.6710		4.9033	2.1381	3.9543	1.0956	5.5642	1.0915	4.8088	1.0956	5.5646
C6	2.4528	2.7829	3.6710	1.4579	4.9033		3.9543	2.1381	5.5642	1.0956	4.8088	1.0915	5.5646	1.0956
H7	2.0860	3.2017	1.0085	2.4983	2.1381	3.9543		2.2567	2.5443	4.4907	2.9645	4.3454	2.5447	4.4920
H8	2.0860	3.2017	2.4983	1.0085	3.9543	2.1381	2.2567		4.4907	2.5443	4.3454	2.9645	4.4920	2.5447
H9	3.1801	3.5306	2.1212	4.3066	1.0956	5.5642	2.5443	4.4907		6.3267	1.7829	5.5073	1.7860	6.0698
H10	3.1801	3.5306	4.3066	2.1212	5.5642	1.0956	4.4907	2.5443	6.3267		5.5073	1.7829	6.0698	1.7860
H11	2.4480	2.2502	2.0487	3.8148	1.0915	4.8088	2.9645	4.3454	1.7829	5.5073		4.4732	1.7829	5.5072
H12	2.4480	2.2502	3.8148	2.0487	4.8088	1.0915	4.3454	2.9645	5.5073	1.7829	4.4732		5.5072	1.7829
H13	3.1804	3.5304	2.1211	4.3076	1.0956	5.5646	2.5447	4.4920	1.7860	6.0698	1.7829	5.5072		6.3276
H14	3.1804	3.5304	4.3076	2.1211	5.5646	1.0956	4.4920	2.5447	6.0698	1.7860	5.5072	1.7829	6.3276

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.768	C1	N3	H7	121.159
C1	N4	C6	119.768	C1	N4	H8	121.159
O2	C1	N3	122.815	O2	C1	N4	122.815
N3	C1	N4	114.370	N3	C5	H9	111.550
N3	C5	H11	106.055	N3	C5	H13	111.549
N4	C6	H10	111.550	N4	C6	H12	106.055
N4	C6	H14	111.549	C5	N3	H7	119.073
C6	N4	H8	119.073	H9	C5	H11	109.209
H9	C5	H13	109.189	H10	C6	H12	109.209
H10	C6	H14	109.189	H11	C5	H13	109.206
H12	C6	H14	109.206

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	0.952
2	O	-0.560
3	N	-0.761
4	N	-0.761
5	C	-0.434
6	C	-0.434
7	H	0.316
8	H	0.316
9	H	0.209
10	H	0.209
11	H	0.265
12	H	0.265
13	H	0.209
14	H	0.209

	x	y	z
x	4.092	0.003	0.000
y	0.003	8.841	0.000
z	0.000	0.000	6.242

<r²>	193.227
(<r²>)^1/2	13.901

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

using model chemistry: wB97X-D/3-21G

States and conformations

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