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	hartrees
Energy at 0K	-57.582536
Energy at 298.15K	-57.592775
HF Energy	-57.582536
Nuclear repulsion energy	137.914887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3651	3651	15.56
2	A	3190	3190	31.82
3	A	3145	3145	19.46
4	A	3067	3067	8.27
5	A	1804	1804	312.68
6	A	1536	1536	20.47
7	A	1503	1503	0.34
8	A	1484	1484	5.97
9	A	1464	1464	1.16
10	A	1215	1215	0.47
11	A	1183	1183	2.05
12	A	1146	1146	7.02
13	A	932	932	2.37
14	A	547	547	106.75
15	A	429	429	57.15
16	A	228	228	4.51
17	A	193	193	0.05
18	A	167	167	0.90
19	B	3650	3650	8.81
20	B	3190	3190	16.99
21	B	3145	3145	92.83
22	B	3066	3066	148.20
23	B	1571	1571	421.44
24	B	1519	1519	8.16
25	B	1496	1496	65.59
26	B	1472	1472	6.18
27	B	1267	1267	209.95
28	B	1160	1160	22.61
29	B	1146	1146	0.94
30	B	1060	1060	1.98
31	B	771	771	33.97
32	B	724	724	16.72
33	B	477	477	124.04
34	B	314	314	46.18
35	B	171	171	0.26
36	B	127	127	9.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.089
O2	0.000	0.000	1.320
N3	0.000	1.169	-0.678
N4	0.000	-1.169	-0.678
C5	-0.215	2.440	0.027
C6	0.215	-2.440	0.027
H7	-0.460	1.087	-1.581
H8	0.460	-1.087	-1.581
H9	-0.081	3.263	-0.690
H10	0.081	-3.263	-0.690
H11	0.531	2.535	0.826
H12	-0.531	-2.535	0.826
H13	-1.217	2.506	0.485
H14	1.217	-2.506	0.485

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2307	1.3989	1.3989	2.4497	2.4497	2.0448	2.0448	3.3556	3.3556	2.6926	2.6926	2.8136	2.8136
O2	1.2307		2.3154	2.3154	2.7695	2.7695	3.1315	3.1315	3.8330	3.8330	2.6368	2.6368	2.9081	2.9081
N3	1.3989	2.3154		2.3388	1.4685	3.6834	1.0160	2.4728	2.0951	4.4331	2.0998	4.0332	2.1494	4.0424
N4	1.3989	2.3154	2.3388		3.6834	1.4685	2.4728	1.0160	4.4331	2.0951	4.0332	2.0998	4.0424	2.1494
C5	2.4497	2.7695	1.4685	3.6834		4.8979	2.1153	3.9334	1.0996	5.7549	1.0971	5.0481	1.1038	5.1687
C6	2.4497	2.7695	3.6834	1.4685	4.8979		3.9334	2.1153	5.7549	1.0996	5.0481	1.0971	5.1687	1.1038
H7	2.0448	3.1315	1.0160	2.4728	2.1153	3.9334		2.3595	2.3821	4.4726	2.9783	4.3487	2.6181	4.4701
H8	2.0448	3.1315	2.4728	1.0160	3.9334	2.1153	2.3595		4.4726	2.3821	4.3487	2.9783	4.4701	2.6181
H9	3.3556	3.8330	2.0951	4.4331	1.0996	5.7549	2.3821	4.4726		6.5279	1.7889	6.0095	1.8009	6.0284
H10	3.3556	3.8330	4.4331	2.0951	5.7549	1.0996	4.4726	2.3821	6.5279		6.0095	1.7889	6.0284	1.8009
H11	2.6926	2.6368	2.0998	4.0332	1.0971	5.0481	2.9783	4.3487	1.7889	6.0095		5.1800	1.7811	5.0986
H12	2.6926	2.6368	4.0332	2.0998	5.0481	1.0971	4.3487	2.9783	6.0095	1.7889	5.1800		5.0986	1.7811
H13	2.8136	2.9081	2.1494	4.0424	1.1038	5.1687	2.6181	4.4701	1.8009	6.0284	1.7811	5.0986		5.5713
H14	2.8136	2.9081	4.0424	2.1494	5.1687	1.1038	4.4701	2.6181	6.0284	1.8009	5.0986	1.7811	5.5713

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.353	C1	N3	H7	114.788
C1	N4	C6	117.353	C1	N4	H8	114.788
O2	C1	N3	123.287	O2	C1	N4	123.287
N3	C1	N4	113.427	N3	C5	H9	108.485
N3	C5	H11	108.995	N3	C5	H13	112.580
N4	C6	H10	108.485	N4	C6	H12	108.995
N4	C6	H14	112.580	C5	N3	H7	115.521
C6	N4	H8	115.521	H9	C5	H11	109.048
H9	C5	H13	109.635	H10	C6	H12	109.048
H10	C6	H14	109.635	H11	C5	H13	108.044
H12	C6	H14	108.044

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

using model chemistry: wB97X-D/CEP-31G*

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	-0.367
2	O	-0.175
3	N	-0.152
4	N	-0.152
5	C	-0.444
6	C	-0.444
7	H	0.312
8	H	0.312
9	H	0.187
10	H	0.187
11	H	0.201
12	H	0.201
13	H	0.167
14	H	0.167

	x	y	z
x	5.278	-0.345	0.000
y	-0.345	8.924	0.000
z	0.000	0.000	7.075

<r²>	158.957
(<r²>)^1/2	12.608

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

using model chemistry: wB97X-D/CEP-31G*

States and conformations

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