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	hartrees
Energy at 0K	-303.051362
Energy at 298.15K	-303.061682
HF Energy	-302.068405
Nuclear repulsion energy	248.140868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3664	3445	20.22
2	A	3218	3026	12.23
3	A	3171	2981	9.07
4	A	3082	2898	5.32
5	A	1883	1771	266.02
6	A	1540	1448	16.01
7	A	1504	1414	0.14
8	A	1493	1404	1.36
9	A	1461	1374	1.77
10	A	1231	1157	0.55
11	A	1202	1130	0.85
12	A	1152	1083	7.46
13	A	948	892	0.21
14	A	596	560	141.68
15	A	466	439	25.67
16	A	228	214	2.90
17	A	207	195	0.39
18	A	119	112	0.65
19	B	3663	3445	11.77
20	B	3218	3026	7.56
21	B	3171	2982	52.94
22	B	3081	2897	99.89
23	B	1603	1507	387.11
24	B	1517	1427	0.26
25	B	1496	1407	53.39
26	B	1465	1378	5.64
27	B	1302	1224	207.67
28	B	1170	1100	11.38
29	B	1157	1088	17.43
30	B	1082	1018	1.36
31	B	796	748	44.72
32	B	757	712	17.98
33	B	523	492	78.57
34	B	327	307	40.25
35	B	130	122	2.28
36	B	126	118	4.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.095
O2	0.000	0.000	1.309
N3	0.000	1.160	-0.674
N4	0.000	-1.160	-0.674
C5	-0.286	2.408	0.022
C6	0.286	-2.408	0.022
H7	-0.484	1.053	-1.558
H8	0.484	-1.053	-1.558
H9	-0.120	3.247	-0.670
H10	0.120	-3.247	-0.670
H11	0.402	2.508	0.872
H12	-0.402	-2.508	0.872
H13	-1.318	2.461	0.415
H14	1.318	-2.461	0.415

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2140	1.3915	1.3915	2.4265	2.4265	2.0193	2.0193	3.3379	3.3379	2.6563	2.6563	2.8096	2.8096
O2	1.2140		2.2972	2.2972	2.7459	2.7459	3.0931	3.0931	3.8046	3.8046	2.5779	2.5779	2.9312	2.9312
N3	1.3915	2.2972		2.3193	1.4578	3.6465	1.0141	2.4313	2.0904	4.4080	2.0900	4.0005	2.1481	4.0036
N4	1.3915	2.2972	2.3193		3.6465	1.4578	2.4313	1.0141	4.4080	2.0904	4.0005	2.0900	4.0036	2.1481
C5	2.4265	2.7459	1.4578	3.6465		4.8508	2.0917	3.8820	1.1000	5.7118	1.0980	4.9910	1.1051	5.1417
C6	2.4265	2.7459	3.6465	1.4578	4.8508		3.8820	2.0917	5.7118	1.1000	4.9910	1.0980	5.1417	1.1051
H7	2.0193	3.0931	1.0141	2.4313	2.0917	3.8820		2.3169	2.3947	4.4313	2.9680	4.3119	2.5638	4.4141
H8	2.0193	3.0931	2.4313	1.0141	3.8820	2.0917	2.3169		4.4313	2.3947	4.3119	2.9680	4.4141	2.5638
H9	3.3379	3.8046	2.0904	4.4080	1.1000	5.7118	2.3947	4.4313		6.4978	1.7875	5.9648	1.7977	5.9849
H10	3.3379	3.8046	4.4080	2.0904	5.7118	1.1000	4.4313	2.3947	6.4978		5.9648	1.7875	5.9849	1.7977
H11	2.6563	2.5779	2.0900	4.0005	1.0980	4.9910	2.9680	4.3119	1.7875	5.9648		5.0809	1.7803	5.0734
H12	2.6563	2.5779	4.0005	2.0900	4.9910	1.0980	4.3119	2.9680	5.9648	1.7875	5.0809		5.0734	1.7803
H13	2.8096	2.9312	2.1481	4.0036	1.1051	5.1417	2.5638	4.4141	1.7977	5.9849	1.7803	5.0734		5.5828
H14	2.8096	2.9312	4.0036	2.1481	5.1417	1.1051	4.4141	2.5638	5.9849	1.7977	5.0734	1.7803	5.5828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	116.755	C1	N3	H7	113.222
C1	N4	C6	116.755	C1	N4	H8	113.222
O2	C1	N3	123.549	O2	C1	N4	123.549
N3	C1	N4	112.902	N3	C5	H9	108.818
N3	C5	H11	108.901	N3	C5	H13	113.176
N4	C6	H10	108.818	N4	C6	H12	108.901
N4	C6	H14	113.176	C5	N3	H7	114.399
C6	N4	H8	114.399	H9	C5	H11	108.822
H9	C5	H13	109.221	H10	C6	H12	108.822
H10	C6	H14	109.221	H11	C5	H13	107.820
H12	C6	H14	107.820

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

using model chemistry: MP3=FULL/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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All results from a given calculation for NH(CH3)CONH(CH3) (Urea, N,N'-dimethyl-)

using model chemistry: MP3=FULL/cc-pVDZ

States and conformations

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