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	hartrees
Energy at 0K	-303.554907
Energy at 298.15K	-303.564929
HF Energy	-303.554907
Nuclear repulsion energy	248.564918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3638	3498	20.19
2	A	3189	3067	0.83
3	A	3118	2998	4.68
4	A	3035	2918	0.12
5	A	1824	1753	254.73
6	A	1522	1464	25.50
7	A	1471	1415	0.18
8	A	1469	1412	0.03
9	A	1410	1356	15.04
10	A	1225	1178	1.51
11	A	1178	1133	4.25
12	A	1135	1091	5.85
13	A	935	899	3.98
14	A	530	510	30.38
15	A	410	394	49.96
16	A	235	226	2.14
17	A	181	174	0.00
18	A	86	83	0.92
19	B	3635	3495	9.77
20	B	3189	3066	0.35
21	B	3118	2998	63.15
22	B	3033	2917	147.04
23	B	1594	1533	403.21
24	B	1479	1422	16.67
25	B	1467	1411	68.86
26	B	1418	1363	5.69
27	B	1266	1217	216.72
28	B	1147	1103	1.35
29	B	1134	1090	29.03
30	B	1086	1044	2.28
31	B	770	741	10.52
32	B	725	697	19.18
33	B	503	484	117.66
34	B	342	329	51.30
35	B	124	119	9.08
36	B	89	86	1.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.105
O2	0.000	0.000	1.326
N3	0.000	1.155	-0.651
N4	0.000	-1.155	-0.651
C5	-0.233	2.423	-0.002
C6	0.233	-2.423	-0.002
H7	-0.340	1.065	-1.600
H8	0.340	-1.065	-1.600
H9	0.329	3.221	-0.509
H10	-0.329	-3.221	-0.509
H11	0.121	2.334	1.033
H12	-0.121	-2.334	1.033
H13	-1.301	2.704	0.027
H14	1.301	-2.704	0.027

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2205	1.3803	1.3803	2.4361	2.4361	2.0394	2.0394	3.2957	3.2957	2.5139	2.5139	3.0015	3.0015
O2	1.2205		2.2894	2.2894	2.7724	2.7724	3.1326	3.1326	3.7218	3.7218	2.3550	2.3550	3.2694	3.2694
N3	1.3803	2.2894		2.3093	1.4433	3.6431	1.0126	2.4378	2.0973	4.3904	2.0589	3.8751	2.1336	4.1280
N4	1.3803	2.2894	2.3093		3.6431	1.4433	2.4378	1.0126	4.3904	2.0973	3.8751	2.0589	4.1280	2.1336
C5	2.4361	2.7724	1.4433	3.6431		4.8675	2.1001	3.8788	1.1003	5.6673	1.0970	4.8686	1.1050	5.3509
C6	2.4361	2.7724	3.6431	1.4433	4.8675		3.8788	2.1001	5.6673	1.1003	4.8686	1.0970	5.3509	1.1050
H7	2.0394	3.1326	1.0126	2.4378	2.1001	3.8788		2.2357	2.5077	4.4226	2.9590	4.3045	2.5017	4.4211
H8	2.0394	3.1326	2.4378	1.0126	3.8788	2.1001	2.2357		4.4226	2.5077	4.3045	2.9590	4.4211	2.5017
H9	3.2957	3.7218	2.0973	4.3904	1.1003	5.6673	2.5077	4.4226		6.4758	1.7912	5.7822	1.7923	6.0280
H10	3.2957	3.7218	4.3904	2.0973	5.6673	1.1003	4.4226	2.5077	6.4758		5.7822	1.7912	6.0280	1.7923
H11	2.5139	2.3550	2.0589	3.8751	1.0970	4.8686	2.9590	4.3045	1.7912	5.7822		4.6734	1.7803	5.2704
H12	2.5139	2.3550	3.8751	2.0589	4.8686	1.0970	4.3045	2.9590	5.7822	1.7912	4.6734		5.2704	1.7803
H13	3.0015	3.2694	2.1336	4.1280	1.1050	5.3509	2.5017	4.4211	1.7923	6.0280	1.7803	5.2704		6.0009
H14	3.0015	3.2694	4.1280	2.1336	5.3509	1.1050	4.4211	2.5017	6.0280	1.7923	5.2704	1.7803	6.0009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.237	C1	N3	H7	116.075
C1	N4	C6	119.237	C1	N4	H8	116.075
O2	C1	N3	123.229	O2	C1	N4	123.229
N3	C1	N4	113.542	N3	C5	H9	110.358
N3	C5	H11	107.506	N3	C5	H13	113.036
N4	C6	H10	110.358	N4	C6	H12	107.506
N4	C6	H14	113.036	C5	N3	H7	116.454
C6	N4	H8	116.454	H9	C5	H11	109.217
H9	C5	H13	108.733	H10	C6	H12	109.217
H10	C6	H14	108.733	H11	C5	H13	107.901
H12	C6	H14	107.901

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

using model chemistry: PBE1PBE/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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Number	Element	Mulliken
1	C	0.316
2	O	-0.325
3	N	-0.255
4	N	-0.255
5	C	-0.001
6	C	-0.001
7	H	0.094
8	H	0.094
9	H	0.043
10	H	0.043
11	H	0.078
12	H	0.078
13	H	0.045
14	H	0.045

	x	y	z
x	5.239	-0.460	0.000
y	-0.460	9.882	0.000
z	0.000	0.000	7.116

<r²>	191.676
(<r²>)^1/2	13.845

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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