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	hartrees
Energy at 0K	-303.040039
Energy at 298.15K	-303.050260
HF Energy	-302.065212
Nuclear repulsion energy	248.098640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3685	3461	34.36
2	A	3262	3064	9.36
3	A	3217	3022	8.46
4	A	3122	2932	5.44
5	A	1778	1670	276.92
6	A	1570	1474	10.69
7	A	1538	1445	0.45
8	A	1508	1417	11.08
9	A	1493	1402	5.71
10	A	1229	1154	0.41
11	A	1202	1129	0.45
12	A	1167	1096	6.97
13	A	940	882	1.25
14	A	562	528	110.55
15	A	447	420	43.80
16	A	225	212	4.64
17	A	191	180	0.44
18	A	121	113	0.50
19	B	3683	3459	13.33
20	B	3262	3064	5.89
21	B	3218	3022	37.55
22	B	3121	2931	97.24
23	B	1592	1495	360.94
24	B	1557	1463	20.63
25	B	1533	1440	75.55
26	B	1496	1405	13.69
27	B	1296	1218	202.66
28	B	1185	1113	28.76
29	B	1169	1097	2.33
30	B	1068	1003	1.32
31	B	761	715	22.56
32	B	739	694	29.29
33	B	505	475	121.98
34	B	320	301	40.92
35	B	139	130	0.87
36	B	127	119	8.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.083
O2	0.000	0.000	1.317
N3	0.000	1.162	-0.671
N4	0.000	-1.162	-0.671
C5	-0.234	2.419	0.026
C6	0.234	-2.419	0.026
H7	-0.429	1.081	-1.581
H8	0.429	-1.081	-1.581
H9	-0.077	3.233	-0.677
H10	0.077	-3.233	-0.677
H11	0.479	2.506	0.838
H12	-0.479	-2.506	0.838
H13	-1.240	2.483	0.443
H14	1.240	-2.483	0.443

	C1	O2	N3	N4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
C1		1.2342	1.3848	1.3848	2.4307	2.4307	2.0300	2.0300	3.3217	3.3217	2.6607	2.6607	2.7988	2.7988
O2	1.2342		2.3025	2.3025	2.7520	2.7520	3.1226	3.1226	3.7990	3.7990	2.5962	2.5962	2.9101	2.9101
N3	1.3848	2.3025		2.3232	1.4560	3.6549	1.0092	2.4582	2.0726	4.3951	2.0766	3.9946	2.1271	4.0079
N4	1.3848	2.3025	2.3232		3.6549	1.4560	2.4582	1.0092	4.3951	2.0726	3.9946	2.0766	4.0079	2.1271
C5	2.4307	2.7520	1.4560	3.6549		4.8600	2.0990	3.9076	1.0864	5.7034	1.0846	4.9973	1.0907	5.1358
C6	2.4307	2.7520	3.6549	1.4560	4.8600		3.9076	2.0990	5.7034	1.0864	4.9973	1.0846	5.1358	1.0907
H7	2.0300	3.1226	1.0092	2.4582	2.0990	3.9076		2.3267	2.3601	4.4368	2.9500	4.3266	2.5918	4.4257
H8	2.0300	3.1226	2.4582	1.0092	3.9076	2.0990	2.3267		4.4368	2.3601	4.3266	2.9500	4.4257	2.5918
H9	3.3217	3.7990	2.0726	4.3951	1.0864	5.7034	2.3601	4.4368		6.4674	1.7693	5.9489	1.7795	5.9717
H10	3.3217	3.7990	4.3951	2.0726	5.7034	1.0864	4.4368	2.3601	6.4674		5.9489	1.7693	5.9717	1.7795
H11	2.6607	2.5962	2.0766	3.9946	1.0846	4.9973	2.9500	4.3266	1.7693	5.9489		5.1030	1.7639	5.0625
H12	2.6607	2.5962	3.9946	2.0766	4.9973	1.0846	4.3266	2.9500	5.9489	1.7693	5.1030		5.0625	1.7639
H13	2.7988	2.9101	2.1271	4.0079	1.0907	5.1358	2.5918	4.4257	1.7795	5.9717	1.7639	5.0625		5.5512
H14	2.7988	2.9101	4.0079	2.1271	5.1358	1.0907	4.4257	2.5918	5.9717	1.7795	5.0625	1.7639	5.5512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	C5	117.641	C1	N3	H7	115.087
C1	N4	C6	117.641	C1	N4	H8	115.087
O2	C1	N3	122.981	O2	C1	N4	122.981
N3	C1	N4	114.038	N3	C5	H9	108.344
N3	C5	H11	108.769	N3	C5	H13	112.495
N4	C6	H10	108.344	N4	C6	H12	108.769
N4	C6	H14	112.495	C5	N3	H7	115.553
C6	N4	H8	115.553	H9	C5	H11	109.167
H9	C5	H13	109.648	H10	C6	H12	109.167
H10	C6	H14	109.648	H11	C5	H13	108.370
H12	C6	H14	108.370

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

using model chemistry: MP2=FULL/6-31+G**

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: MP2=FULL/6-31+G**

States and conformations

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