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	hartrees
Energy at 0K	-303.900003
Energy at 298.15K	-303.910439
HF Energy	-303.900003
Nuclear repulsion energy	254.738687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3730	3566	31.34
2	A	3618	3459	24.17
3	A	3181	3041	0.72
4	A	3140	3002	12.10
5	A	3101	2964	17.34
6	A	3087	2951	45.16
7	A	3031	2897	68.52
8	A	3006	2874	61.27
9	A	1795	1716	450.22
10	A	1640	1568	154.98
11	A	1554	1486	99.48
12	A	1526	1459	12.63
13	A	1513	1446	9.36
14	A	1508	1442	14.69
15	A	1495	1429	62.71
16	A	1451	1387	121.89
17	A	1440	1377	11.80
18	A	1330	1271	25.78
19	A	1287	1230	50.38
20	A	1183	1131	3.67
21	A	1143	1093	3.36
22	A	1114	1065	44.51
23	A	1097	1049	12.60
24	A	1043	997	33.76
25	A	792	757	40.20
26	A	787	753	2.47
27	A	609	582	11.58
28	A	561	537	166.30
29	A	524	501	6.20
30	A	445	425	34.44
31	A	395	378	21.49
32	A	320	306	12.94
33	A	196	187	2.49
34	A	190	181	2.45
35	A	139	133	4.49
36	A	110	105	3.05

Atom	x (Å)	y (Å)	z (Å)
H1	2.537	0.638	0.171
O2	1.227	-1.328	-0.079
C3	0.757	-0.206	-0.035
N4	-0.587	0.042	-0.026
H5	1.291	1.671	0.607
N6	1.582	0.914	0.012
H7	-2.188	-1.095	-0.758
H8	-2.095	-0.988	1.010
H9	-0.930	-1.990	0.116
C10	-1.504	-1.070	0.094
H11	-1.324	1.792	0.919
H12	-2.123	1.314	-0.580
H13	-0.523	2.037	-0.652
C14	-1.158	1.367	-0.077

	H1	O2	C3	N4	H5	N6	H7	H8	H9	C10	H11	H12	H13	C14
H1		2.3759	1.9809	3.1866	1.6767	1.0068	5.1179	4.9801	4.3515	4.3878	4.0988	4.7691	3.4643	3.7748
O2	2.3759		1.2171	2.2733	3.0770	2.2715	3.4891	3.5117	2.2647	2.7480	4.1517	4.2958	3.8355	3.5985
C3	1.9809	1.2171		1.3667	2.0542	1.3916	3.1598	3.1364	2.4607	2.4238	3.0388	3.3022	2.6549	2.4786
N4	3.1866	2.2733	1.3667		2.5649	2.3380	2.0954	2.0990	2.0661	1.4460	2.1211	2.0705	2.0919	1.4438
H5	1.6767	3.0770	2.0542	2.5649		1.0060	4.6487	4.3234	4.3104	3.9476	2.6358	3.6320	2.2378	2.5604
N6	1.0068	2.2715	1.3916	2.3380	1.0060		4.3405	4.2580	3.8416	3.6694	3.1685	3.7739	2.4769	2.7789
H7	5.1179	3.4891	3.1598	2.0954	4.6487	4.3405		1.7732	1.7743	1.0926	3.4485	2.4162	3.5479	2.7538
H8	4.9801	3.5117	3.1364	2.0990	4.3234	4.2580	1.7732		1.7777	1.0931	2.8863	2.7980	3.7920	2.7573
H9	4.3515	2.2647	2.4607	2.0661	4.3104	3.8416	1.7743	1.7777		1.0851	3.8871	3.5819	4.1201	3.3707
C10	4.3878	2.7480	2.4238	1.4460	3.9476	3.6694	1.0926	1.0931	1.0851		2.9841	2.5538	3.3419	2.4670
H11	4.0988	4.1517	3.0388	2.1211	2.6358	3.1685	3.4485	2.8863	3.8871	2.9841		1.7654	1.7803	1.0956
H12	4.7691	4.2958	3.3022	2.0705	3.6320	3.7739	2.4162	2.7980	3.5819	2.5538	1.7654		1.7572	1.0900
H13	3.4643	3.8355	2.6549	2.0919	2.2378	2.4769	3.5479	3.7920	4.1201	3.3419	1.7803	1.7572		1.0875
C14	3.7748	3.5985	2.4786	1.4438	2.5604	2.7789	2.7538	2.7573	3.3707	2.4670	1.0956	1.0900	1.0875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N6	C3	110.333	H1	N6	H5	112.817
O2	C3	N4	123.143	O2	C3	N6	120.946
C3	N4	C10	119.000	C3	N4	C14	123.723
C3	N6	H5	117.004	N4	C3	N6	115.910
N4	C10	H7	110.495	N4	C10	H8	110.749
N4	C10	H9	108.595	N4	C14	H11	112.572
N4	C14	H12	108.805	N4	C14	H13	110.676
H7	C10	H8	108.444	H7	C10	H9	109.135
H8	C10	H9	109.400	C10	N4	C14	117.234
H11	C14	H12	107.749	H11	C14	H13	109.270
H12	C14	H13	107.604

All results from a given calculation for N(CH₃)₂CONH₂ (Urea, N,N-dimethyl-)

using model chemistry: wB97X-D/cc-pVTZ

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	H	0.153
2	O	-0.393
3	C	0.239
4	N	-0.064
5	H	0.147
6	N	-0.256
7	H	0.079
8	H	0.077
9	H	0.124
10	C	-0.184
11	H	0.085
12	H	0.092
13	H	0.094
14	C	-0.196

	x	y	z	Total
	-1.831	3.417	1.015	4.008
CHELPG
AIM
ESP

	x	y	z
x	9.428	-0.040	-0.033
y	-0.040	8.766	0.128
z	-0.033	0.128	6.022

<r²>	164.565
(<r²>)^1/2	12.828

All results from a given calculation for N(CH3)2CONH2 (Urea, N,N-dimethyl-)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for N(CH₃)₂CONH₂ (Urea, N,N-dimethyl-)