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	hartrees
Energy at 0K	-57.564919
Energy at 298.15K	-57.574927
HF Energy	-57.564919
Nuclear repulsion energy	137.365385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3585	3462	8.52
2	A	3163	3055	22.34
3	A	3108	3002	18.82
4	A	3033	2929	5.32
5	A	1770	1709	281.54
6	A	1516	1464	20.11
7	A	1490	1439	0.06
8	A	1461	1411	7.63
9	A	1447	1397	3.18
10	A	1186	1145	0.16
11	A	1158	1119	1.49
12	A	1125	1087	8.11
13	A	911	880	1.84
14	A	538	519	97.40
15	A	427	412	45.13
16	A	221	214	4.31
17	A	188	181	0.14
18	A	111	107	0.81
19	B	3582	3459	7.15
20	B	3163	3055	10.14
21	B	3108	3002	86.54
22	B	3032	2928	146.39
23	B	1546	1493	318.10
24	B	1498	1447	7.11
25	B	1482	1431	91.26
26	B	1452	1402	10.39
27	B	1242	1200	231.93
28	B	1141	1102	29.57
29	B	1126	1087	3.37
30	B	1027	992	2.72
31	B	750	724	27.75
32	B	717	693	21.45
33	B	487	471	120.76
34	B	315	304	43.08
35	B	125	120	4.16
36	B	122	118	5.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.095
O2	0.000	0.000	1.332
N3	0.000	1.174	-0.675
N4	0.000	-1.174	-0.675
C5	-0.254	2.449	0.018
C6	0.254	-2.449	0.018
H7	-0.438	1.083	-1.591
H8	0.438	-1.083	-1.591
H9	-0.030	3.278	-0.673
H10	0.030	-3.278	-0.673
H11	0.411	2.517	0.890
H12	-0.411	-2.517	0.890
H13	-1.297	2.540	0.377
H14	1.297	-2.540	0.377

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2368	1.4042	1.4042	2.4633	2.4633	2.0514	2.0514	3.3673	3.3673	2.6714	2.6714	2.8659	2.8659
O2	1.2368		2.3252	2.3252	2.7909	2.7909	3.1478	3.1478	3.8430	3.8430	2.5886	2.5886	3.0078	3.0078
N3	1.4042	2.3252		2.3481	1.4732	3.6974	1.0194	2.4750	2.1046	4.4525	2.1028	4.0302	2.1575	4.0721
N4	1.4042	2.3252	2.3481		3.6974	1.4732	2.4750	1.0194	4.4525	2.1046	4.0302	2.1028	4.0721	2.1575
C5	2.4633	2.7909	1.4732	3.6974		4.9242	2.1184	3.9426	1.1024	5.7759	1.0988	5.0445	1.1069	5.2368
C6	2.4633	2.7909	3.6974	1.4732	4.9242		3.9426	2.1184	5.7759	1.1024	5.0445	1.0988	5.2368	1.1069
H7	2.0514	3.1478	1.0194	2.4750	2.1184	3.9426		2.3370	2.4142	4.4817	2.9886	4.3722	2.5944	4.4733
H8	2.0514	3.1478	2.4750	1.0194	3.9426	2.1184	2.3370		4.4817	2.4142	4.3722	2.9886	4.4733	2.5944
H9	3.3673	3.8430	2.1046	4.4525	1.1024	5.7759	2.4142	4.4817		6.5570	1.7934	6.0146	1.8035	6.0594
H10	3.3673	3.8430	4.4525	2.1046	5.7759	1.1024	4.4817	2.4142	6.5570		6.0146	1.7934	6.0594	1.8035
H11	2.6714	2.5886	2.1028	4.0302	1.0988	5.0445	2.9886	4.3722	1.7934	6.0146		5.1011	1.7842	5.1597
H12	2.6714	2.5886	4.0302	2.1028	5.0445	1.0988	4.3722	2.9886	6.0146	1.7934	5.1011		5.1597	1.7842
H13	2.8659	3.0078	2.1575	4.0721	1.1069	5.2368	2.5944	4.4733	1.8035	6.0594	1.7842	5.1597		5.7041
H14	2.8659	3.0078	4.0721	2.1575	5.2368	1.1069	4.4733	2.5944	6.0594	1.8035	5.1597	1.7842	5.7041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.744	C1	N3	H7	114.726
C1	N4	C6	117.744	C1	N4	H8	114.726
O2	C1	N3	123.270	O2	C1	N4	123.270
N3	C1	N4	113.460	N3	C5	H9	108.740
N3	C5	H11	108.809	N3	C5	H13	112.714
N4	C6	H10	108.740	N4	C6	H12	108.809
N4	C6	H14	112.714	C5	N3	H7	115.185
C6	N4	H8	115.185	H9	C5	H11	109.113
H9	C5	H13	109.436	H10	C6	H12	109.113
H10	C6	H14	109.436	H11	C5	H13	107.971
H12	C6	H14	107.971

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

using model chemistry: B3LYP/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	-0.359
2	O	-0.172
3	N	-0.125
4	N	-0.125
5	C	-0.477
6	C	-0.477
7	H	0.291
8	H	0.291
9	H	0.195
10	H	0.195
11	H	0.212
12	H	0.212
13	H	0.169
14	H	0.169

	x	y	z
x	5.276	-0.456	0.000
y	-0.456	9.313	0.000
z	0.000	0.000	7.177

<r²>	160.432
(<r²>)^1/2	12.666

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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