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	hartrees
Energy at 0K	-302.298129
Energy at 298.15K	-302.308064
HF Energy	-302.298129
Nuclear repulsion energy	249.319266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3529	3490	19.46
2	A	3066	3032	1.76
3	A	3016	2983	0.69
4	A	2945	2913	0.53
5	A	1778	1759	204.68
6	A	1460	1444	21.26
7	A	1406	1390	0.16
8	A	1401	1385	0.05
9	A	1323	1308	32.21
10	A	1210	1197	2.81
11	A	1124	1111	9.46
12	A	1090	1078	2.54
13	A	917	906	7.95
14	A	508	502	4.34
15	A	302	299	24.76
16	A	235	233	1.39
17	A	167	165	0.20
18	A	134	133	4.03
19	B	3525	3486	9.53
20	B	3064	3031	0.45
21	B	3016	2983	56.08
22	B	2943	2911	169.88
23	B	1564	1547	445.21
24	B	1407	1392	55.00
25	B	1402	1386	31.43
26	B	1333	1318	10.84
27	B	1210	1196	124.76
28	B	1114	1102	9.47
29	B	1100	1088	3.01
30	B	1068	1056	38.72
31	B	740	732	2.35
32	B	689	681	9.18
33	B	455	450	129.62
34	B	349	345	63.76
35	B	168	166	1.89
36	B	103	102	12.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.089
O2	0.000	0.000	1.318
N3	0.000	1.154	-0.655
N4	0.000	-1.154	-0.655
C5	-0.147	2.412	0.008
C6	0.147	-2.412	0.008
H7	-0.238	1.087	-1.646
H8	0.238	-1.087	-1.646
H9	0.634	3.140	-0.296
H10	-0.634	-3.140	-0.296
H11	-0.040	2.190	1.091
H12	0.040	-2.190	1.091
H13	-1.146	2.875	-0.154
H14	1.146	-2.875	-0.154

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2288	1.3727	1.3727	2.4174	2.4174	2.0614	2.0614	3.2269	3.2269	2.4083	2.4083	3.1049	3.1049
O2	1.2288		2.2853	2.2853	2.7482	2.7482	3.1661	3.1661	3.5872	3.5872	2.2019	2.2019	3.4277	3.4277
N3	1.3727	2.2853		2.3073	1.4296	3.6293	1.0217	2.4618	2.1163	4.3555	2.0302	3.7718	2.1280	4.2186
N4	1.3727	2.2853	2.3073		3.6293	1.4296	2.4618	1.0217	4.3555	2.1163	3.7718	2.0302	4.2186	2.1280
C5	2.4174	2.7482	1.4296	3.6293		4.8321	2.1211	3.8892	1.1111	5.5816	1.1103	4.7306	1.1133	5.4453
C6	2.4174	2.7482	3.6293	1.4296	4.8321		3.8892	2.1211	5.5816	1.1111	4.7306	1.1103	5.4453	1.1133
H7	2.0614	3.1661	1.0217	2.4618	2.1211	3.8892		2.2257	2.6078	4.4557	2.9573	4.2785	2.4995	4.4544
H8	2.0614	3.1661	2.4618	1.0217	3.8892	2.1211	2.2257		4.4557	2.6078	4.2785	2.9573	4.4544	2.4995
H9	3.2269	3.5872	2.1163	4.3555	1.1111	5.5816	2.6078	4.4557		6.4077	1.8111	5.5395	1.8057	6.0391
H10	3.2269	3.5872	4.3555	2.1163	5.5816	1.1111	4.4557	2.6078	6.4077		5.5395	1.8111	6.0391	1.8057
H11	2.4083	2.2019	2.0302	3.7718	1.1103	4.7306	2.9573	4.2785	1.8111	5.5395		4.3802	1.8014	5.3490
H12	2.4083	2.2019	3.7718	2.0302	4.7306	1.1103	4.2785	2.9573	5.5395	1.8111	4.3802		5.3490	1.8014
H13	3.1049	3.4277	2.1280	4.2186	1.1133	5.4453	2.4995	4.4544	1.8057	6.0391	1.8014	5.3490		6.1907
H14	3.1049	3.4277	4.2186	2.1280	5.4453	1.1133	4.4544	2.4995	6.0391	1.8057	5.3490	1.8014	6.1907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	119.224	C1	N3	H7	118.108
C1	N4	C6	119.224	C1	N4	H8	118.108
O2	C1	N3	122.814	O2	C1	N4	122.814
N3	C1	N4	114.372	N3	C5	H9	112.205
N3	C5	H11	105.448	N3	C5	H13	113.031
N4	C6	H10	112.205	N4	C6	H12	105.448
N4	C6	H14	113.031	C5	N3	H7	118.900
C6	N4	H8	118.900	H9	C5	H11	109.234
H9	C5	H13	108.546	H10	C6	H12	109.234
H10	C6	H14	108.546	H11	C5	H13	108.225
H12	C6	H14	108.225

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

using model chemistry: LSDA/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	0.147
2	O	-0.255
3	N	-0.166
4	N	-0.166
5	C	-0.117
6	C	-0.117
7	H	0.104
8	H	0.104
9	H	0.069
10	H	0.069
11	H	0.096
12	H	0.096
13	H	0.068
14	H	0.068

	x	y	z
x	5.335	-0.344	0.000
y	-0.344	11.067	0.000
z	0.000	0.000	7.348

<r²>	190.282
(<r²>)^1/2	13.794

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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